1,3-Benzenedicarboxamide, N,N'-bis[3-(diethylamino)propyl]-5-nitro-
Basic information
- CAS
290829-08-2- Standard SMILES
CCN(CC)CCCNC(=O)c1cc(C(=O)NCCCN(CC)CC)cc([N+](=O)[O-])c1- InChIKey
QGJFQZMHYIABGO-UHFFFAOYSA-N- Molecular formula
- C22H37N5O4
- Average molar mass
- 435.6 g/mol
- Monoisotopic mass
- 435.28455468
Names & identifiers
- Preferred name
- 1,3-Benzenedicarboxamide, N,N'-bis[3-(diethylamino)propyl]-5-nitro-
- IUPAC
- 1-N,3-N-bis[3-(diethylamino)propyl]-5-nitrobenzene-1,3-dicarboxamide
Names & synonyms
290829-08-21,3-Benzenedicarboxamide, N,N'-bis[3-(diethylamino)propyl]-5-nitro-DTXSID103919561,3-Benzenedicarboxamide, N1,N3-bis[3-(diethylamino)propyl]-5-nitro-N~1~,N~3~-Bis[3-(diethylamino)propyl]-5-nitrobenzene-1,3-dicarboxamide
Database identifiers
- CAS
290829-08-2- PubChem CID
- 3380643
- DTXSID
DTXSID10391956- Nikkaji
- J2.403.126H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 507
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Compound notes
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