N-[2-(cyclohexen-1-yl)ethyl]-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide

C21H27N3O3 — CID 18584397

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESCc1cc(NC(=O)C(=O)NCCC2=CCCCC2)ccc1N1CCCC1=O
InChIInChI=1S/C21H27N3O3/c1-15-14-17(9-10-18(15)24-13-5-8-19(24)25)23-21(27)20(26)22-12-11-16-6-3-2-4-7-16/h6,9-10,14H,2-5,7-8,11-13H2,1H3,(H,22,26)(H,23,27)
InChIKeyRAOFBSAGWRVDOT-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.07
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide

N-[2-(cyclohexen-1-yl)ethyl]-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide (PubChem CID 18584397) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
PubChem CID18584397
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESCc1cc(NC(=O)C(=O)NCCC2=CCCCC2)ccc1N1CCCC1=O
InChIInChI=1S/C21H27N3O3/c1-15-14-17(9-10-18(15)24-13-5-8-19(24)25)23-21(27)20(26)22-12-11-16-6-3-2-4-7-16/h6,9-10,14H,2-5,7-8,11-13H2,1H3,(H,22,26)(H,23,27)
InChIKeyRAOFBSAGWRVDOT-UHFFFAOYSA-N
XLogP3.07
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[2-(cyclohexen-1-yl)ethyl]-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-propyloxamide
CID 30679260
N-[(4-methoxyphenyl)methyl]-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584394
N-[2-(cyclohexen-1-yl)ethyl]-N'-(3,4-dimethoxyphenyl)oxamide
CID 7585267
N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide
CID 121054590
N-(furan-2-ylmethyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584405
N-(3,4-dimethylphenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680052
N-(3-fluorophenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679287
N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(pyridin-2-ylmethyl)oxamide
CID 18584398
N-(3,4-dimethylphenyl)-N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679388
N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7687364
N-cyclohexyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679262
N'-(3-acetylphenyl)-N-[2-(cyclohexen-1-yl)ethyl]oxamide
CID 108984198

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide (CID 18584397) is N-[2-(cyclohexen-1-yl)ethyl]-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide is Cc1cc(NC(=O)C(=O)NCCC2=CCCCC2)ccc1N1CCCC1=O.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The InChIKey is RAOFBSAGWRVDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15-14-17(9-10-18(15)24-13-5-8-19(24)25)23-21(27)20(26)22-12-11-16-6-3-2-4-7-16/h6,9-10,14H,2-5,7-8,11-13H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide has a molecular weight of 369.47 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide is sourced from PubChem (CID 18584397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).