N'-[(2S)-4-phenylbutan-2-yl]-N-[(1-phenylcyclopentyl)methyl]oxamide

C24H30N2O2 — CID 7270600

IUPACN'-[(2S)-4-phenylbutan-2-yl]-N-[(1-phenylcyclopentyl)methyl]oxamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)C(=O)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C24H30N2O2/c1-19(14-15-20-10-4-2-5-11-20)26-23(28)22(27)25-18-24(16-8-9-17-24)21-12-6-3-7-13-21/h2-7,10-13,19H,8-9,14-18H2,1H3,(H,25,27)(H,26,28)/t19-/m0/s1
InChIKeyCXAJIHSZOKTVAJ-IBGZPJMESA-N
MW378.52 g/mol
LogP3.75
Rot. Bonds7

About N'-[(2S)-4-phenylbutan-2-yl]-N-[(1-phenylcyclopentyl)methyl]oxamide

N'-[(2S)-4-phenylbutan-2-yl]-N-[(1-phenylcyclopentyl)methyl]oxamide (PubChem CID 7270600) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N'-[(2S)-4-phenylbutan-2-yl]-N-[(1-phenylcyclopentyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(2S)-4-phenylbutan-2-yl]-N-[(1-phenylcyclopentyl)methyl]oxamide
PubChem CID7270600
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN'-[(2S)-4-phenylbutan-2-yl]-N-[(1-phenylcyclopentyl)methyl]oxamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)C(=O)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C24H30N2O2/c1-19(14-15-20-10-4-2-5-11-20)26-23(28)22(27)25-18-24(16-8-9-17-24)21-12-6-3-7-13-21/h2-7,10-13,19H,8-9,14-18H2,1H3,(H,25,27)(H,26,28)/t19-/m0/s1
InChIKeyCXAJIHSZOKTVAJ-IBGZPJMESA-N
XLogP3.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-N'-[(1-phenylcyclopentyl)methyl]oxamide
CID 40566076
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide
CID 1220424
(2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride
CID 119316389
N-cyclopentyl-N'-(4-phenylbutan-2-yl)oxamide
CID 18588529
1-amino-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide
CID 61251912
1-(5-methylhexan-2-yl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 112828675
(2S)-N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ium-1-ylpropanamide
CID 6935034
N'-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-N-[(1-phenylcyclopropyl)methyl]oxamide
CID 86996810
1-[(1-phenylcyclobutyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 113214970
N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ium-1-ylpropanamide chloride
CID 44655127
1-[(1-phenylcyclohexyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 14977491
1-amino-N-[(1-phenylcyclobutyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119276343

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-4-phenylbutan-2-yl]-N-[(1-phenylcyclopentyl)methyl]oxamide?
The IUPAC name of N'-[(2S)-4-phenylbutan-2-yl]-N-[(1-phenylcyclopentyl)methyl]oxamide (CID 7270600) is N'-[(2S)-4-phenylbutan-2-yl]-N-[(1-phenylcyclopentyl)methyl]oxamide.
What is the SMILES notation for N'-[(2S)-4-phenylbutan-2-yl]-N-[(1-phenylcyclopentyl)methyl]oxamide?
The canonical SMILES for N'-[(2S)-4-phenylbutan-2-yl]-N-[(1-phenylcyclopentyl)methyl]oxamide is C[C@@H](CCc1ccccc1)NC(=O)C(=O)NCC1(c2ccccc2)CCCC1.
What is the InChIKey of N'-[(2S)-4-phenylbutan-2-yl]-N-[(1-phenylcyclopentyl)methyl]oxamide?
The InChIKey is CXAJIHSZOKTVAJ-IBGZPJMESA-N. The full InChI is InChI=1S/C24H30N2O2/c1-19(14-15-20-10-4-2-5-11-20)26-23(28)22(27)25-18-24(16-8-9-17-24)21-12-6-3-7-13-21/h2-7,10-13,19H,8-9,14-18H2,1H3,(H,25,27)(H,26,28)/t19-/m0/s1.
What are the key properties of N'-[(2S)-4-phenylbutan-2-yl]-N-[(1-phenylcyclopentyl)methyl]oxamide?
N'-[(2S)-4-phenylbutan-2-yl]-N-[(1-phenylcyclopentyl)methyl]oxamide has a molecular weight of 378.52 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-4-phenylbutan-2-yl]-N-[(1-phenylcyclopentyl)methyl]oxamide is sourced from PubChem (CID 7270600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).