3-[benzyl-[(2-methoxyphenyl)carbamoyl]amino]-N-(3,3-diphenylpropyl)propanamide

C33H35N3O3 — CID 42699471

IUPAC3-[benzyl-[(2-methoxyphenyl)carbamoyl]amino]-N-(3,3-diphenylpropyl)propanamide
SMILESCOc1ccccc1NC(=O)N(CCC(=O)NCCC(c1ccccc1)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C33H35N3O3/c1-39-31-20-12-11-19-30(31)35-33(38)36(25-26-13-5-2-6-14-26)24-22-32(37)34-23-21-29(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-20,29H,21-25H2,1H3,(H,34,37)(H,35,38)
InChIKeyWBEABSODEDWYOX-UHFFFAOYSA-N
MW521.66 g/mol
LogP6.46
Rot. Bonds12

About 3-[benzyl-[(2-methoxyphenyl)carbamoyl]amino]-N-(3,3-diphenylpropyl)propanamide

3-[benzyl-[(2-methoxyphenyl)carbamoyl]amino]-N-(3,3-diphenylpropyl)propanamide (PubChem CID 42699471) has the molecular formula C33H35N3O3 and a molecular weight of 521.66 g/mol. Its IUPAC name is 3-[benzyl-[(2-methoxyphenyl)carbamoyl]amino]-N-(3,3-diphenylpropyl)propanamide.

Molecular Properties

Compound Name3-[benzyl-[(2-methoxyphenyl)carbamoyl]amino]-N-(3,3-diphenylpropyl)propanamide
PubChem CID42699471
Molecular FormulaC33H35N3O3
Molecular Weight521.66 g/mol
Exact Mass521.27
IUPAC Name3-[benzyl-[(2-methoxyphenyl)carbamoyl]amino]-N-(3,3-diphenylpropyl)propanamide
SMILESCOc1ccccc1NC(=O)N(CCC(=O)NCCC(c1ccccc1)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C33H35N3O3/c1-39-31-20-12-11-19-30(31)35-33(38)36(25-26-13-5-2-6-14-26)24-22-32(37)34-23-21-29(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-20,29H,21-25H2,1H3,(H,34,37)(H,35,38)
InChIKeyWBEABSODEDWYOX-UHFFFAOYSA-N
XLogP6.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.66
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-diphenylpropyl)-3-(2-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 42698400
3-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]-N-(1-phenylethyl)propanamide
CID 42699861
1-benzyl-3-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]urea
CID 47053425
6-amino-N-benzyl-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]hexanamide
CID 4541760
3-[acetyl(benzyl)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113118224
N-(3,3-diphenylpropyl)-3-[ethylcarbamoyl(propyl)amino]propanamide
CID 42700207
N-(3,3-diphenylpropyl)-3-[2-methylpropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanamide
CID 42698814
methyl 3-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]propanoate
CID 61011322
ethyl 3-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]propanoate
CID 42697513
1,1-dibenzyl-3-(2-methoxyphenyl)thiourea
CID 3583218
3-(2-methoxyphenyl)-1-(2-methylpropyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42703414
3-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-4-methoxy-N,N-dimethylbenzamide
CID 60543557

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-[(2-methoxyphenyl)carbamoyl]amino]-N-(3,3-diphenylpropyl)propanamide?
The IUPAC name of 3-[benzyl-[(2-methoxyphenyl)carbamoyl]amino]-N-(3,3-diphenylpropyl)propanamide (CID 42699471) is 3-[benzyl-[(2-methoxyphenyl)carbamoyl]amino]-N-(3,3-diphenylpropyl)propanamide.
What is the SMILES notation for 3-[benzyl-[(2-methoxyphenyl)carbamoyl]amino]-N-(3,3-diphenylpropyl)propanamide?
The canonical SMILES for 3-[benzyl-[(2-methoxyphenyl)carbamoyl]amino]-N-(3,3-diphenylpropyl)propanamide is COc1ccccc1NC(=O)N(CCC(=O)NCCC(c1ccccc1)c1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl-[(2-methoxyphenyl)carbamoyl]amino]-N-(3,3-diphenylpropyl)propanamide?
The InChIKey is WBEABSODEDWYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N3O3/c1-39-31-20-12-11-19-30(31)35-33(38)36(25-26-13-5-2-6-14-26)24-22-32(37)34-23-21-29(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-20,29H,21-25H2,1H3,(H,34,37)(H,35,38).
What are the key properties of 3-[benzyl-[(2-methoxyphenyl)carbamoyl]amino]-N-(3,3-diphenylpropyl)propanamide?
3-[benzyl-[(2-methoxyphenyl)carbamoyl]amino]-N-(3,3-diphenylpropyl)propanamide has a molecular weight of 521.66 g/mol, XLogP of 6.46, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-[(2-methoxyphenyl)carbamoyl]amino]-N-(3,3-diphenylpropyl)propanamide is sourced from PubChem (CID 42699471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).