4-[[benzyl(2-phenylethyl)carbamoyl]amino]butanoic acid

C20H24N2O3 — CID 122021626

IUPAC4-[[benzyl(2-phenylethyl)carbamoyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H24N2O3/c23-19(24)12-7-14-21-20(25)22(16-18-10-5-2-6-11-18)15-13-17-8-3-1-4-9-17/h1-6,8-11H,7,12-16H2,(H,21,25)(H,23,24)
InChIKeySNYYHHKHUVOLRX-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.31
Rot. Bonds9

About 4-[[benzyl(2-phenylethyl)carbamoyl]amino]butanoic acid

4-[[benzyl(2-phenylethyl)carbamoyl]amino]butanoic acid (PubChem CID 122021626) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-[[benzyl(2-phenylethyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[benzyl(2-phenylethyl)carbamoyl]amino]butanoic acid
PubChem CID122021626
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name4-[[benzyl(2-phenylethyl)carbamoyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H24N2O3/c23-19(24)12-7-14-21-20(25)22(16-18-10-5-2-6-11-18)15-13-17-8-3-1-4-9-17/h1-6,8-11H,7,12-16H2,(H,21,25)(H,23,24)
InChIKeySNYYHHKHUVOLRX-UHFFFAOYSA-N
XLogP3.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[benzyl(2-methylprop-2-enyl)carbamoyl]amino]butanoic acid
CID 122022564
6-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid
CID 61185010
1,1,3-tris(2-phenylethyl)urea
CID 123287811
4-[[benzyl(methyl)carbamoyl]amino]butanoic acid
CID 28511357
4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]butanoic acid
CID 122021483
4-[[cyclopentyl(2-phenylethyl)carbamoyl]amino]butanoic acid
CID 122022295
4-[[(4-methoxyphenyl)methyl-(2-pyridin-2-ylethyl)carbamoyl]amino]butanoic acid
CID 122022550
3-[[benzyl(2,2-dimethylpropyl)carbamoyl]amino]propanoic acid
CID 122019025
4-(5-phenylpentylcarbamoylamino)butanoic acid
CID 122000470
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
4-[[2-(dimethylamino)ethyl-[[3-(trifluoromethyl)phenyl]methyl]carbamoyl]amino]butanoic acid
CID 122021394

Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl(2-phenylethyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 4-[[benzyl(2-phenylethyl)carbamoyl]amino]butanoic acid (CID 122021626) is 4-[[benzyl(2-phenylethyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 4-[[benzyl(2-phenylethyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 4-[[benzyl(2-phenylethyl)carbamoyl]amino]butanoic acid is O=C(O)CCCNC(=O)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of 4-[[benzyl(2-phenylethyl)carbamoyl]amino]butanoic acid?
The InChIKey is SNYYHHKHUVOLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-19(24)12-7-14-21-20(25)22(16-18-10-5-2-6-11-18)15-13-17-8-3-1-4-9-17/h1-6,8-11H,7,12-16H2,(H,21,25)(H,23,24).
What are the key properties of 4-[[benzyl(2-phenylethyl)carbamoyl]amino]butanoic acid?
4-[[benzyl(2-phenylethyl)carbamoyl]amino]butanoic acid has a molecular weight of 340.42 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzyl(2-phenylethyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 122021626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).