N-cyclopentyl-N'-(4-phenylbutan-2-yl)oxamide

C17H24N2O2 — CID 18588529

IUPACN-cyclopentyl-N'-(4-phenylbutan-2-yl)oxamide
SMILESCC(CCc1ccccc1)NC(=O)C(=O)NC1CCCC1
InChIInChI=1S/C17H24N2O2/c1-13(11-12-14-7-3-2-4-8-14)18-16(20)17(21)19-15-9-5-6-10-15/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyTVTODKUWMFTZIF-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.18
Rot. Bonds5

About N-cyclopentyl-N'-(4-phenylbutan-2-yl)oxamide

N-cyclopentyl-N'-(4-phenylbutan-2-yl)oxamide (PubChem CID 18588529) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-cyclopentyl-N'-(4-phenylbutan-2-yl)oxamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-(4-phenylbutan-2-yl)oxamide
PubChem CID18588529
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-cyclopentyl-N'-(4-phenylbutan-2-yl)oxamide
SMILESCC(CCc1ccccc1)NC(=O)C(=O)NC1CCCC1
InChIInChI=1S/C17H24N2O2/c1-13(11-12-14-7-3-2-4-8-14)18-16(20)17(21)19-15-9-5-6-10-15/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyTVTODKUWMFTZIF-UHFFFAOYSA-N
XLogP2.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cyclopentyl-N'-(4-phenylbutan-2-yl)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-(4-phenylbutan-2-yl)cyclohexanamine
CID 10633307
1-cyclopropyl-3-(4-phenylbutan-2-yl)thiourea
CID 19651854
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
N'-cycloheptyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498657
N'-[(2S)-4-phenylbutan-2-yl]-N-[(1-phenylcyclopentyl)methyl]oxamide
CID 7270600
N-cyclopentyl-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 42909311
N-cycloheptyl-N'-[1-(furan-2-yl)propan-2-yl]oxamide
CID 121084182
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
2-amino-N-(1-cyclohexylethyl)-4-phenylbutanamide
CID 114928101
benzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate
CID 42885017
(2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide
CID 104984652
2-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]-2-oxo-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 124878067

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-(4-phenylbutan-2-yl)oxamide?
The IUPAC name of N-cyclopentyl-N'-(4-phenylbutan-2-yl)oxamide (CID 18588529) is N-cyclopentyl-N'-(4-phenylbutan-2-yl)oxamide.
What is the SMILES notation for N-cyclopentyl-N'-(4-phenylbutan-2-yl)oxamide?
The canonical SMILES for N-cyclopentyl-N'-(4-phenylbutan-2-yl)oxamide is CC(CCc1ccccc1)NC(=O)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-N'-(4-phenylbutan-2-yl)oxamide?
The InChIKey is TVTODKUWMFTZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(11-12-14-7-3-2-4-8-14)18-16(20)17(21)19-15-9-5-6-10-15/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-cyclopentyl-N'-(4-phenylbutan-2-yl)oxamide?
N-cyclopentyl-N'-(4-phenylbutan-2-yl)oxamide has a molecular weight of 288.39 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-(4-phenylbutan-2-yl)oxamide is sourced from PubChem (CID 18588529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).