Benzenepropanamide, alpha-(benzoylamino)-4-(3-(4-(phenylmethyl)-1-piperazinyl)propoxy)-N,N-dipropyl-, ethanedioate (1:?)
Basic information
- CAS
57227-30-2- Standard SMILES
CCCN(CCC)C(=O)C(Cc1ccc(OCCCN2CCN(Cc3ccccc3)CC2)cc1)NC(=O)c1ccccc1.O=C(O)C(=O)O- InChIKey
HMNZCWTVMGEBHG-UHFFFAOYSA-N- Molecular formula
- C38H50N4O7
- Average molar mass
- 674.8 g/mol
- Monoisotopic mass
- 674.36794995
Names & identifiers
- Preferred name
- Benzenepropanamide, alpha-(benzoylamino)-4-(3-(4-(phenylmethyl)-1-piperazinyl)propoxy)-N,N-dipropyl-, ethanedioate (1:?)
- IUPAC
- N-[3-[4-[3-(4-benzylpiperazin-1-yl)propoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]benzamide;oxalic acid
Names & synonyms
57227-30-2RefChem:1078578Benzenepropanamide, alpha-(benzoylamino)-4-(3-(4-(phenylmethyl)-1-piperazinyl)propoxy)-N,N-dipropyl-, ethanedioate (1:?)Hydrocinnamamide, alpha-(benzoylamino)-4-(3-(4-benzyl-1-piperazinyl)propoxy)-N,N-dipropyl-, oxalate, (+-)-CR 619O-(3-(N''-Benzylpiperazine)-N'-propyl)-N-benzoyl-DL-tyrosyl-di-n-propylamide oxalateDTXSID10972688Oxalic acid--N-[3-{4-[3-(4-benzylpiperazin-1-yl)propoxy]phenyl}-1-(dipropylamino)-1-oxopropan-2-yl]benzenecarboximidic acid (1/1)
Database identifiers
- CAS
57227-30-2- PubChem CID
- 42175
- DTXSID
DTXSID10972688
Properties
Computed structural properties
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 17
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 847
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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