1-phenylethyl(propyl)carbamic acid

C12H17NO2 — CID 57360234

IUPAC1-phenylethyl(propyl)carbamic acid
SMILESCCCN(C(=O)O)C(C)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-9-13(12(14)15)10(2)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,15)
InChIKeyCSGCSAIOYAFRLD-UHFFFAOYSA-N
MW207.27 g/mol
LogP3.14
Rot. Bonds4

About 1-phenylethyl(propyl)carbamic acid

1-phenylethyl(propyl)carbamic acid (PubChem CID 57360234) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-phenylethyl(propyl)carbamic acid.

Molecular Properties

Compound Name1-phenylethyl(propyl)carbamic acid
PubChem CID57360234
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-phenylethyl(propyl)carbamic acid
SMILESCCCN(C(=O)O)C(C)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-9-13(12(14)15)10(2)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,15)
InChIKeyCSGCSAIOYAFRLD-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-phenylethyl(propyl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloroethyl(1-phenylethyl)carbamic acid
CID 57362032
1-phenylethyl(prop-2-enyl)carbamic acid
CID 57372880
[(1S)-1-(3-hydroxyphenyl)ethyl]-(3-phenylbutyl)carbamic acid
CID 66857029
3-[1-phenylethyl(propanoyl)amino]propanoic acid
CID 82323265
2-amino-N-butyl-N-(1-phenylethyl)pentanamide
CID 119331563
N-benzyl-2-phenyl-N-(1-phenylethyl)acetamide
CID 86229489
methyl(1-phenylethyl)carbamic acid
CID 67062794
N-benzyl-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
CID 126749944
3-[benzoyl(1-phenylethyl)amino]propanoic acid
CID 82324526
[(1S)-1-(4-bromophenyl)ethyl]-[(3S)-5-methyl-3-phenylhex-5-enyl]carbamic acid
CID 89131350
1-[(1R)-1-phenylethyl]-1-propyl-3-(10,10,10-triethoxydecyl)urea
CID 150076677
N-(1-phenylethyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113054490

Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl(propyl)carbamic acid?
The IUPAC name of 1-phenylethyl(propyl)carbamic acid (CID 57360234) is 1-phenylethyl(propyl)carbamic acid.
What is the SMILES notation for 1-phenylethyl(propyl)carbamic acid?
The canonical SMILES for 1-phenylethyl(propyl)carbamic acid is CCCN(C(=O)O)C(C)c1ccccc1.
What is the InChIKey of 1-phenylethyl(propyl)carbamic acid?
The InChIKey is CSGCSAIOYAFRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-9-13(12(14)15)10(2)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,15).
What are the key properties of 1-phenylethyl(propyl)carbamic acid?
1-phenylethyl(propyl)carbamic acid has a molecular weight of 207.27 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethyl(propyl)carbamic acid is sourced from PubChem (CID 57360234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).