(3R,4E)-N,1-dicyclohexyl-5-oxo-4-(phenylhydrazinylidene)pyrrolidine-3-carboxamide

C23H32N4O2 — CID 7921970

IUPAC(3R,4E)-N,1-dicyclohexyl-5-oxo-4-(phenylhydrazinylidene)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H]1CN(C2CCCCC2)C(=O)/C1=N/Nc1ccccc1
InChIInChI=1S/C23H32N4O2/c28-22(24-17-10-4-1-5-11-17)20-16-27(19-14-8-3-9-15-19)23(29)21(20)26-25-18-12-6-2-7-13-18/h2,6-7,12-13,17,19-20,25H,1,3-5,8-11,14-16H2,(H,24,28)/b26-21+/t20-/m1/s1
InChIKeyXBZOTNCMXCGNJC-KZLURRSOSA-N
MW396.54 g/mol
LogP3.69
Rot. Bonds5

About (3R,4E)-N,1-dicyclohexyl-5-oxo-4-(phenylhydrazinylidene)pyrrolidine-3-carboxamide

(3R,4E)-N,1-dicyclohexyl-5-oxo-4-(phenylhydrazinylidene)pyrrolidine-3-carboxamide (PubChem CID 7921970) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is (3R,4E)-N,1-dicyclohexyl-5-oxo-4-(phenylhydrazinylidene)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4E)-N,1-dicyclohexyl-5-oxo-4-(phenylhydrazinylidene)pyrrolidine-3-carboxamide
PubChem CID7921970
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name(3R,4E)-N,1-dicyclohexyl-5-oxo-4-(phenylhydrazinylidene)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H]1CN(C2CCCCC2)C(=O)/C1=N/Nc1ccccc1
InChIInChI=1S/C23H32N4O2/c28-22(24-17-10-4-1-5-11-17)20-16-27(19-14-8-3-9-15-19)23(29)21(20)26-25-18-12-6-2-7-13-18/h2,6-7,12-13,17,19-20,25H,1,3-5,8-11,14-16H2,(H,24,28)/b26-21+/t20-/m1/s1
InChIKeyXBZOTNCMXCGNJC-KZLURRSOSA-N
XLogP3.69
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S,4E)-N,1-dicyclohexyl-5-oxo-4-(phenylhydrazinylidene)pyrrolidine-3-carboxamide
CID 7921972
diethyl (2S,3R,4E)-1-cyclohexyl-5-oxo-4-(phenylhydrazinylidene)pyrrolidine-2,3-dicarboxylate
CID 7832466
N-cyclohexyl-2-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 3293225
2-cyclooctyl-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 4252906
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
(3S)-3-N-cyclopentyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 95116250
N-cyclohexyl-N'-phenyloxamide
CID 2271218
3-N-(1-cyclopropylpiperidin-4-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55561482
(3S)-N,1-dicyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 6938538
(3R)-1-cycloheptyl-N-(2,3-dihydro-1H-inden-2-yl)-6-oxopiperidine-3-carboxamide
CID 97152048
(1S,2S,5R,6R,7R)-2-N-cyclohexyl-3-cyclopentyl-4-oxo-6-N-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
CID 1469880
(1R,2S,5R,6S,7R)-2-N-cyclohexyl-3-cyclopentyl-4-oxo-6-N-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
CID 100828811

Frequently Asked Questions

What is the IUPAC name of (3R,4E)-N,1-dicyclohexyl-5-oxo-4-(phenylhydrazinylidene)pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4E)-N,1-dicyclohexyl-5-oxo-4-(phenylhydrazinylidene)pyrrolidine-3-carboxamide (CID 7921970) is (3R,4E)-N,1-dicyclohexyl-5-oxo-4-(phenylhydrazinylidene)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4E)-N,1-dicyclohexyl-5-oxo-4-(phenylhydrazinylidene)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4E)-N,1-dicyclohexyl-5-oxo-4-(phenylhydrazinylidene)pyrrolidine-3-carboxamide is O=C(NC1CCCCC1)[C@@H]1CN(C2CCCCC2)C(=O)/C1=N/Nc1ccccc1.
What is the InChIKey of (3R,4E)-N,1-dicyclohexyl-5-oxo-4-(phenylhydrazinylidene)pyrrolidine-3-carboxamide?
The InChIKey is XBZOTNCMXCGNJC-KZLURRSOSA-N. The full InChI is InChI=1S/C23H32N4O2/c28-22(24-17-10-4-1-5-11-17)20-16-27(19-14-8-3-9-15-19)23(29)21(20)26-25-18-12-6-2-7-13-18/h2,6-7,12-13,17,19-20,25H,1,3-5,8-11,14-16H2,(H,24,28)/b26-21+/t20-/m1/s1.
What are the key properties of (3R,4E)-N,1-dicyclohexyl-5-oxo-4-(phenylhydrazinylidene)pyrrolidine-3-carboxamide?
(3R,4E)-N,1-dicyclohexyl-5-oxo-4-(phenylhydrazinylidene)pyrrolidine-3-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4E)-N,1-dicyclohexyl-5-oxo-4-(phenylhydrazinylidene)pyrrolidine-3-carboxamide is sourced from PubChem (CID 7921970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).