3-[(3-methoxyphenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide

C27H31N3O3 — CID 42702946

IUPAC3-[(3-methoxyphenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide
SMILESCOc1cccc(NC(=O)N(CCC(=O)NCCc2ccccc2)C(C)c2ccccc2)c1
InChIInChI=1S/C27H31N3O3/c1-21(23-12-7-4-8-13-23)30(27(32)29-24-14-9-15-25(20-24)33-2)19-17-26(31)28-18-16-22-10-5-3-6-11-22/h3-15,20-21H,16-19H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyZATHURSAJVXGRC-UHFFFAOYSA-N
MW445.56 g/mol
LogP5.04
Rot. Bonds10

About 3-[(3-methoxyphenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide

3-[(3-methoxyphenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide (PubChem CID 42702946) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide
PubChem CID42702946
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC Name3-[(3-methoxyphenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide
SMILESCOc1cccc(NC(=O)N(CCC(=O)NCCc2ccccc2)C(C)c2ccccc2)c1
InChIInChI=1S/C27H31N3O3/c1-21(23-12-7-4-8-13-23)30(27(32)29-24-14-9-15-25(20-24)33-2)19-17-26(31)28-18-16-22-10-5-3-6-11-22/h3-15,20-21H,16-19H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyZATHURSAJVXGRC-UHFFFAOYSA-N
XLogP5.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.56
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-fluorophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide
CID 42702942
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[phenylcarbamoyl(1-phenylethyl)amino]propanamide
CID 42703210
1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea
CID 25175472
N-(3-methoxyphenyl)-4-phenylbutanamide
CID 683926
3-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 109025532
3-[2-aminoethyl(2-phenylethyl)amino]-N-(3-methoxyphenyl)propanamide
CID 120871619
3-amino-N-[2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119949515
N-(3-methoxyphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8555015
N-[2-(4-fluorophenyl)ethyl]-3-(3-methoxyanilino)propanamide
CID 109025014
N-benzyl-3-[1-phenylethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanamide
CID 42698745
1-N'-(3-methoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977160
1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
CID 5297462

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-[(3-methoxyphenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide (CID 42702946) is 3-[(3-methoxyphenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-[(3-methoxyphenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-[(3-methoxyphenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide is COc1cccc(NC(=O)N(CCC(=O)NCCc2ccccc2)C(C)c2ccccc2)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide?
The InChIKey is ZATHURSAJVXGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-21(23-12-7-4-8-13-23)30(27(32)29-24-14-9-15-25(20-24)33-2)19-17-26(31)28-18-16-22-10-5-3-6-11-22/h3-15,20-21H,16-19H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of 3-[(3-methoxyphenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide?
3-[(3-methoxyphenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide has a molecular weight of 445.56 g/mol, XLogP of 5.04, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 42702946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).