N-(2-amino-2-phenylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide

C20H26N4O2 — CID 119528512

IUPACN-(2-amino-2-phenylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)NCC(N)c1ccccc1
InChIInChI=1S/C20H26N4O2/c1-24(15-16-8-4-2-5-9-16)20(26)22-13-12-19(25)23-14-18(21)17-10-6-3-7-11-17/h2-11,18H,12-15,21H2,1H3,(H,22,26)(H,23,25)
InChIKeyZEDBNJBVGPZDKR-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.03
Rot. Bonds8

About N-(2-amino-2-phenylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide

N-(2-amino-2-phenylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide (PubChem CID 119528512) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
PubChem CID119528512
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-(2-amino-2-phenylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)NCC(N)c1ccccc1
InChIInChI=1S/C20H26N4O2/c1-24(15-16-8-4-2-5-9-16)20(26)22-13-12-19(25)23-14-18(21)17-10-6-3-7-11-17/h2-11,18H,12-15,21H2,1H3,(H,22,26)(H,23,25)
InChIKeyZEDBNJBVGPZDKR-UHFFFAOYSA-N
XLogP2.03
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 119548569
ethyl N-[1-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-4-methylpentan-2-yl]carbamate
CID 56504562
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 56514738
N-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide
CID 119529676
N-(2-amino-2-phenylethyl)-N',N'-dimethylpentanediamide;hydrochloride
CID 119527853
4-[[benzyl(methyl)carbamoyl]amino]butanoic acid
CID 28511357
N-(2-amino-2-phenylethyl)pentanamide
CID 63120587
ethyl 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-3-(3-methoxyphenyl)propanoate
CID 56581674
3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide
CID 56504949
N-(2-amino-1-cyclopropylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride
CID 119615189
N-(1-amino-2,4-dimethylpentan-2-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 119598846
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide (CID 119528512) is N-(2-amino-2-phenylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide is CN(Cc1ccccc1)C(=O)NCCC(=O)NCC(N)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide?
The InChIKey is ZEDBNJBVGPZDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-24(15-16-8-4-2-5-9-16)20(26)22-13-12-19(25)23-14-18(21)17-10-6-3-7-11-17/h2-11,18H,12-15,21H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-(2-amino-2-phenylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide?
N-(2-amino-2-phenylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide has a molecular weight of 354.45 g/mol, XLogP of 2.03, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide is sourced from PubChem (CID 119528512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).