N-[3-(1-methylimidazole-2-carbonyl)phenyl]-N'-[(1R)-1-phenylethyl]oxamide

C21H20N4O3 — CID 124655998

IUPACN-[3-(1-methylimidazole-2-carbonyl)phenyl]-N'-[(1R)-1-phenylethyl]oxamide
SMILESC[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)c2nccn2C)c1)c1ccccc1
InChIInChI=1S/C21H20N4O3/c1-14(15-7-4-3-5-8-15)23-20(27)21(28)24-17-10-6-9-16(13-17)18(26)19-22-11-12-25(19)2/h3-14H,1-2H3,(H,23,27)(H,24,28)/t14-/m1/s1
InChIKeyALQXNIPGRCZWOR-CQSZACIVSA-N
MW376.42 g/mol
LogP2.47
Rot. Bonds5

About N-[3-(1-methylimidazole-2-carbonyl)phenyl]-N'-[(1R)-1-phenylethyl]oxamide

N-[3-(1-methylimidazole-2-carbonyl)phenyl]-N'-[(1R)-1-phenylethyl]oxamide (PubChem CID 124655998) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[3-(1-methylimidazole-2-carbonyl)phenyl]-N'-[(1R)-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN-[3-(1-methylimidazole-2-carbonyl)phenyl]-N'-[(1R)-1-phenylethyl]oxamide
PubChem CID124655998
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-[3-(1-methylimidazole-2-carbonyl)phenyl]-N'-[(1R)-1-phenylethyl]oxamide
SMILESC[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)c2nccn2C)c1)c1ccccc1
InChIInChI=1S/C21H20N4O3/c1-14(15-7-4-3-5-8-15)23-20(27)21(28)24-17-10-6-9-16(13-17)18(26)19-22-11-12-25(19)2/h3-14H,1-2H3,(H,23,27)(H,24,28)/t14-/m1/s1
InChIKeyALQXNIPGRCZWOR-CQSZACIVSA-N
XLogP2.47
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromophenyl)-N'-[(1S)-1-phenylethyl]oxamide
CID 2249399
N-[3-(1-methylimidazole-2-carbonyl)phenyl]-3-pyrrol-1-ylpropanamide
CID 125433246
3-[(1-methylimidazole-2-carbonyl)amino]benzoic acid
CID 110467287
N-[3-(cyclopropylcarbamoyl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide
CID 86995840
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-[3-(1-methylimidazole-2-carbonyl)phenyl]oxamide
CID 51044200
N-(1,3-benzodioxol-5-ylmethyl)-N'-[3-(1-methylimidazole-2-carbonyl)phenyl]oxamide
CID 51043237
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-(1-phenylethyl)oxamide
CID 49295659
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-[(1S)-1-phenylethyl]oxamide
CID 51053458
N-(3-acetylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide
CID 108510255
N-[3-(1-methylimidazole-2-carbonyl)phenyl]-4-(1-methylindol-3-yl)butanamide
CID 91639034
2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1-methylimidazole-2-carbonyl)phenyl]acetamide
CID 75490431
(1-methylimidazol-2-yl)-naphthalen-2-ylmethanone
CID 60660061

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylimidazole-2-carbonyl)phenyl]-N'-[(1R)-1-phenylethyl]oxamide?
The IUPAC name of N-[3-(1-methylimidazole-2-carbonyl)phenyl]-N'-[(1R)-1-phenylethyl]oxamide (CID 124655998) is N-[3-(1-methylimidazole-2-carbonyl)phenyl]-N'-[(1R)-1-phenylethyl]oxamide.
What is the SMILES notation for N-[3-(1-methylimidazole-2-carbonyl)phenyl]-N'-[(1R)-1-phenylethyl]oxamide?
The canonical SMILES for N-[3-(1-methylimidazole-2-carbonyl)phenyl]-N'-[(1R)-1-phenylethyl]oxamide is C[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)c2nccn2C)c1)c1ccccc1.
What is the InChIKey of N-[3-(1-methylimidazole-2-carbonyl)phenyl]-N'-[(1R)-1-phenylethyl]oxamide?
The InChIKey is ALQXNIPGRCZWOR-CQSZACIVSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-14(15-7-4-3-5-8-15)23-20(27)21(28)24-17-10-6-9-16(13-17)18(26)19-22-11-12-25(19)2/h3-14H,1-2H3,(H,23,27)(H,24,28)/t14-/m1/s1.
What are the key properties of N-[3-(1-methylimidazole-2-carbonyl)phenyl]-N'-[(1R)-1-phenylethyl]oxamide?
N-[3-(1-methylimidazole-2-carbonyl)phenyl]-N'-[(1R)-1-phenylethyl]oxamide has a molecular weight of 376.42 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylimidazole-2-carbonyl)phenyl]-N'-[(1R)-1-phenylethyl]oxamide is sourced from PubChem (CID 124655998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).