N'-[(1R)-1-cyclopropyl-2-phenylethyl]-N-(4-methoxyphenyl)oxamide

C20H22N2O3 — CID 95773405

IUPACN'-[(1R)-1-cyclopropyl-2-phenylethyl]-N-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C2CC2)cc1
InChIInChI=1S/C20H22N2O3/c1-25-17-11-9-16(10-12-17)21-19(23)20(24)22-18(15-7-8-15)13-14-5-3-2-4-6-14/h2-6,9-12,15,18H,7-8,13H2,1H3,(H,21,23)(H,22,24)/t18-/m1/s1
InChIKeyWFKQDZWJVWGABB-GOSISDBHSA-N
MW338.41 g/mol
LogP2.77
Rot. Bonds6

About N'-[(1R)-1-cyclopropyl-2-phenylethyl]-N-(4-methoxyphenyl)oxamide

N'-[(1R)-1-cyclopropyl-2-phenylethyl]-N-(4-methoxyphenyl)oxamide (PubChem CID 95773405) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N'-[(1R)-1-cyclopropyl-2-phenylethyl]-N-(4-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[(1R)-1-cyclopropyl-2-phenylethyl]-N-(4-methoxyphenyl)oxamide
PubChem CID95773405
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN'-[(1R)-1-cyclopropyl-2-phenylethyl]-N-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C2CC2)cc1
InChIInChI=1S/C20H22N2O3/c1-25-17-11-9-16(10-12-17)21-19(23)20(24)22-18(15-7-8-15)13-14-5-3-2-4-6-14/h2-6,9-12,15,18H,7-8,13H2,1H3,(H,21,23)(H,22,24)/t18-/m1/s1
InChIKeyWFKQDZWJVWGABB-GOSISDBHSA-N
XLogP2.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (3S)-3-cyclopropyl-3-[(4-methoxyphenyl)carbamoylamino]propanoate
CID 96535661
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
2-benzyl-N-(4-methoxyphenyl)-3-sulfanylpropanamide
CID 19904478
1-[1-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-2-phenylethyl]-3-(4-methoxyphenyl)urea
CID 53277099
(3R)-3-benzyl-4-(4-methoxyanilino)-4-oxobutanoate
CID 6936206
4-benzyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 121318821
2-(4-methoxyanilino)-2-oxoacetic acid
CID 4962374
4-[(1-cyclopropyl-2-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673788
(2S)-2-[(1S,2R,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 124718578
(2R)-2-[(1S,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 11893488
2-(1-amino-2-phenylethyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 5185231
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-(4-methoxyphenyl)oxamide
CID 71788832

Frequently Asked Questions

What is the IUPAC name of N'-[(1R)-1-cyclopropyl-2-phenylethyl]-N-(4-methoxyphenyl)oxamide?
The IUPAC name of N'-[(1R)-1-cyclopropyl-2-phenylethyl]-N-(4-methoxyphenyl)oxamide (CID 95773405) is N'-[(1R)-1-cyclopropyl-2-phenylethyl]-N-(4-methoxyphenyl)oxamide.
What is the SMILES notation for N'-[(1R)-1-cyclopropyl-2-phenylethyl]-N-(4-methoxyphenyl)oxamide?
The canonical SMILES for N'-[(1R)-1-cyclopropyl-2-phenylethyl]-N-(4-methoxyphenyl)oxamide is COc1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C2CC2)cc1.
What is the InChIKey of N'-[(1R)-1-cyclopropyl-2-phenylethyl]-N-(4-methoxyphenyl)oxamide?
The InChIKey is WFKQDZWJVWGABB-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-25-17-11-9-16(10-12-17)21-19(23)20(24)22-18(15-7-8-15)13-14-5-3-2-4-6-14/h2-6,9-12,15,18H,7-8,13H2,1H3,(H,21,23)(H,22,24)/t18-/m1/s1.
What are the key properties of N'-[(1R)-1-cyclopropyl-2-phenylethyl]-N-(4-methoxyphenyl)oxamide?
N'-[(1R)-1-cyclopropyl-2-phenylethyl]-N-(4-methoxyphenyl)oxamide has a molecular weight of 338.41 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R)-1-cyclopropyl-2-phenylethyl]-N-(4-methoxyphenyl)oxamide is sourced from PubChem (CID 95773405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).