2-[(2-methoxyphenyl)carbamoylamino]-3-phenyl-N-(1-phenylethyl)propanamide

C25H27N3O3 — CID 42701995

IUPAC2-[(2-methoxyphenyl)carbamoylamino]-3-phenyl-N-(1-phenylethyl)propanamide
SMILESCOc1ccccc1NC(=O)NC(Cc1ccccc1)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C25H27N3O3/c1-18(20-13-7-4-8-14-20)26-24(29)22(17-19-11-5-3-6-12-19)28-25(30)27-21-15-9-10-16-23(21)31-2/h3-16,18,22H,17H2,1-2H3,(H,26,29)(H2,27,28,30)
InChIKeyMWYIWBOMHVQGGI-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.31
Rot. Bonds8

About 2-[(2-methoxyphenyl)carbamoylamino]-3-phenyl-N-(1-phenylethyl)propanamide

2-[(2-methoxyphenyl)carbamoylamino]-3-phenyl-N-(1-phenylethyl)propanamide (PubChem CID 42701995) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)carbamoylamino]-3-phenyl-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)carbamoylamino]-3-phenyl-N-(1-phenylethyl)propanamide
PubChem CID42701995
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name2-[(2-methoxyphenyl)carbamoylamino]-3-phenyl-N-(1-phenylethyl)propanamide
SMILESCOc1ccccc1NC(=O)NC(Cc1ccccc1)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C25H27N3O3/c1-18(20-13-7-4-8-14-20)26-24(29)22(17-19-11-5-3-6-12-19)28-25(30)27-21-15-9-10-16-23(21)31-2/h3-16,18,22H,17H2,1-2H3,(H,26,29)(H2,27,28,30)
InChIKeyMWYIWBOMHVQGGI-UHFFFAOYSA-N
XLogP4.31
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methoxyphenyl)carbamoylamino]-3-phenylpropanamide
CID 42704114
N-(2-methoxyphenyl)-N'-(1-phenylethyl)propanediamide
CID 108945965
2-[(2-methoxyphenyl)carbamoylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 100747177
1-(2-amino-1-phenylethyl)-3-(2-methoxyphenyl)urea
CID 63767864
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
2-[(2-methoxyphenyl)carbamoylamino]butanoic acid
CID 43469980
1-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 51168567
2-methoxy-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 102395814
2,2-dimethyl-N-[1-oxo-3-phenyl-1-(1-phenylethylamino)propan-2-yl]propanamide
CID 59684320
2-chloro-N-[(2R)-1-(2-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 144901028
1-[1-(4-benzylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-(2-methoxyphenyl)urea
CID 42697179
1-(2-methoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea
CID 121176489

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)carbamoylamino]-3-phenyl-N-(1-phenylethyl)propanamide?
The IUPAC name of 2-[(2-methoxyphenyl)carbamoylamino]-3-phenyl-N-(1-phenylethyl)propanamide (CID 42701995) is 2-[(2-methoxyphenyl)carbamoylamino]-3-phenyl-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 2-[(2-methoxyphenyl)carbamoylamino]-3-phenyl-N-(1-phenylethyl)propanamide?
The canonical SMILES for 2-[(2-methoxyphenyl)carbamoylamino]-3-phenyl-N-(1-phenylethyl)propanamide is COc1ccccc1NC(=O)NC(Cc1ccccc1)C(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-[(2-methoxyphenyl)carbamoylamino]-3-phenyl-N-(1-phenylethyl)propanamide?
The InChIKey is MWYIWBOMHVQGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-18(20-13-7-4-8-14-20)26-24(29)22(17-19-11-5-3-6-12-19)28-25(30)27-21-15-9-10-16-23(21)31-2/h3-16,18,22H,17H2,1-2H3,(H,26,29)(H2,27,28,30).
What are the key properties of 2-[(2-methoxyphenyl)carbamoylamino]-3-phenyl-N-(1-phenylethyl)propanamide?
2-[(2-methoxyphenyl)carbamoylamino]-3-phenyl-N-(1-phenylethyl)propanamide has a molecular weight of 417.51 g/mol, XLogP of 4.31, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)carbamoylamino]-3-phenyl-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 42701995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).