2-(12,14-dioxo-11,12,14,15-tetrahydro-9H-9,10-[3,4]epipyrroloanthracen-13(10H)-yl)-N-(4-methoxyphenyl)hexanamide
Basic information
- CAS
473800-75-8- Standard SMILES
CCCCC(C(=O)Nc1ccc(OC)cc1)N1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O- InChIKey
NRTFZGUEWNFXED-UHFFFAOYSA-N- Molecular formula
- C31H30N2O4
- Average molar mass
- 494.6 g/mol
- Monoisotopic mass
- 494.22055744
Names & identifiers
- Preferred name
- 2-(12,14-dioxo-11,12,14,15-tetrahydro-9H-9,10-[3,4]epipyrroloanthracen-13(10H)-yl)-N-(4-methoxyphenyl)hexanamide
- IUPAC
- 2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-(4-methoxyphenyl)hexanamide
- English name
- 2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-(4-methoxyphenyl)hexanamide
- Molecular formula
- C31H30N2O4
- Molecular weight
- 494.5809
Names & synonyms
2-(12,14-dioxo-11,12,14,15-tetrahydro-9H-9,10-[3,4]epipyrroloanthracen-13(10H)-yl)-N-(4-methoxyphenyl)hexanamide2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-(4-methoxyphenyl)hexanamideChemDiv1_023787Oprea1_706860HMS654J05STK269395AKOS000749416AKOS021995763ST50266476AG-690/15435818SR-01000464843SR-01000464843-1
Show more names
2-(16,18-dioxo-17-azapentacyclo[6.6.5.0<2,7>.0<9,14>.0<15,19>]nonadeca-2(7),3, 5,9(14),10,12-hexaen-17-yl)-N-(4-methoxyphenyl)hexanamide2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-(4-methoxyphenyl)hexanamide (non-preferred name)2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-(4-methoxyphenyl)hexanamide473800-75-8
Database identifiers
- CAS
473800-75-8
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 812
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