N-(3-Nitrophenyl)-4-[2-oxo-2-(pyrrolidin-1-YL)ethyl]-1,4-diazepane-1-carboxamide

HCID 32015083

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Basic information

CAS: 1209633-47-5
Standard SMILES: O=C(CN1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1)N1CCCC1
InChIKey: YRZSRBYXRRNYAS-UHFFFAOYSA-N
Molecular formula: C18H25N5O4
Average molar mass: 375.4 g/mol
Monoisotopic mass: 375.1906543

Names & identifiers

Preferred name: N-(3-Nitrophenyl)-4-[2-oxo-2-(pyrrolidin-1-YL)ethyl]-1,4-diazepane-1-carboxamide
IUPAC: N-(3-nitrophenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepane-1-carboxamide

Names & synonyms

DTXSID501119992AKOS0081120421209633-47-5Z339876506N-(3-NITROPHENYL)-4-[2-OXO-2-(PYRROLIDIN-1-YL)ETHYL]-1,4-DIAZEPANE-1-CARBOXAMIDEHexahydro-N-(3-nitrophenyl)-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1H-1,4-diazepine-1-carboxamide

Database identifiers

CAS: 1209633-47-5
PubChem CID: 32015083
DTXSID: DTXSID501119992

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 102 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 27
Formal charge: 0
Complexity: 546

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