3-(benzylcarbamoylamino)-N-(2-methyl-1-phenylpropyl)propanamide

C21H27N3O2 — CID 24625545

IUPAC3-(benzylcarbamoylamino)-N-(2-methyl-1-phenylpropyl)propanamide
SMILESCC(C)C(NC(=O)CCNC(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-16(2)20(18-11-7-4-8-12-18)24-19(25)13-14-22-21(26)23-15-17-9-5-3-6-10-17/h3-12,16,20H,13-15H2,1-2H3,(H,24,25)(H2,22,23,26)
InChIKeyPRKRPIHDWZHRIH-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.39
Rot. Bonds8

About 3-(benzylcarbamoylamino)-N-(2-methyl-1-phenylpropyl)propanamide

3-(benzylcarbamoylamino)-N-(2-methyl-1-phenylpropyl)propanamide (PubChem CID 24625545) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-(benzylcarbamoylamino)-N-(2-methyl-1-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-(benzylcarbamoylamino)-N-(2-methyl-1-phenylpropyl)propanamide
PubChem CID24625545
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name3-(benzylcarbamoylamino)-N-(2-methyl-1-phenylpropyl)propanamide
SMILESCC(C)C(NC(=O)CCNC(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-16(2)20(18-11-7-4-8-12-18)24-19(25)13-14-22-21(26)23-15-17-9-5-3-6-10-17/h3-12,16,20H,13-15H2,1-2H3,(H,24,25)(H2,22,23,26)
InChIKeyPRKRPIHDWZHRIH-UHFFFAOYSA-N
XLogP3.39
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(benzylcarbamoylamino)-N-(1-phenylethyl)propanamide
CID 42698521
3-(benzylcarbamoylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 41236910
1-benzyl-3-(3-hydroxybutyl)urea
CID 103670110
2-bromo-N-(2-methyl-1-phenylpropyl)acetamide
CID 10492239
2-amino-N-(2-methyl-1-phenylpropyl)acetamide;hydrochloride
CID 119273385
2-(methylamino)-N-(2-methyl-1-phenylpropyl)acetamide;hydrochloride
CID 119693512
N-[3-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 43031477
N-[(1R)-2-methyl-1-phenylpropyl]-2-(4-phenylphenyl)acetamide
CID 2215611
3-[(N-benzyl-N'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide;hydroiodide
CID 110954723
2-(2-fluorophenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 84915033
1-benzyl-3-[(3R)-3-hydroxy-4,4-dimethylpentyl]urea
CID 95984730
1-(2-methyl-1-phenylpropyl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 42934834

Frequently Asked Questions

What is the IUPAC name of 3-(benzylcarbamoylamino)-N-(2-methyl-1-phenylpropyl)propanamide?
The IUPAC name of 3-(benzylcarbamoylamino)-N-(2-methyl-1-phenylpropyl)propanamide (CID 24625545) is 3-(benzylcarbamoylamino)-N-(2-methyl-1-phenylpropyl)propanamide.
What is the SMILES notation for 3-(benzylcarbamoylamino)-N-(2-methyl-1-phenylpropyl)propanamide?
The canonical SMILES for 3-(benzylcarbamoylamino)-N-(2-methyl-1-phenylpropyl)propanamide is CC(C)C(NC(=O)CCNC(=O)NCc1ccccc1)c1ccccc1.
What is the InChIKey of 3-(benzylcarbamoylamino)-N-(2-methyl-1-phenylpropyl)propanamide?
The InChIKey is PRKRPIHDWZHRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16(2)20(18-11-7-4-8-12-18)24-19(25)13-14-22-21(26)23-15-17-9-5-3-6-10-17/h3-12,16,20H,13-15H2,1-2H3,(H,24,25)(H2,22,23,26).
What are the key properties of 3-(benzylcarbamoylamino)-N-(2-methyl-1-phenylpropyl)propanamide?
3-(benzylcarbamoylamino)-N-(2-methyl-1-phenylpropyl)propanamide has a molecular weight of 353.47 g/mol, XLogP of 3.39, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylcarbamoylamino)-N-(2-methyl-1-phenylpropyl)propanamide is sourced from PubChem (CID 24625545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).