octyl(phenyl)carbamic acid

C15H23NO2 — CID 54301990

IUPACoctyl(phenyl)carbamic acid
SMILESCCCCCCCCN(C(=O)O)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-2-3-4-5-6-10-13-16(15(17)18)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3,(H,17,18)
InChIKeySEWJXBVXGXZTFG-UHFFFAOYSA-N
MW249.35 g/mol
LogP4.53
Rot. Bonds8

About octyl(phenyl)carbamic acid

octyl(phenyl)carbamic acid (PubChem CID 54301990) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is octyl(phenyl)carbamic acid.

Molecular Properties

Compound Nameoctyl(phenyl)carbamic acid
PubChem CID54301990
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameoctyl(phenyl)carbamic acid
SMILESCCCCCCCCN(C(=O)O)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-2-3-4-5-6-10-13-16(15(17)18)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3,(H,17,18)
InChIKeySEWJXBVXGXZTFG-UHFFFAOYSA-N
XLogP4.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-N-phenylacetamide
CID 13217997
(4-aminophenyl)-icosylcarbamic acid
CID 57279079
tert-butyl N-hexyl-N-phenylcarbamate
CID 135064745
tert-butyl N-octadecyl-N-phenylcarbamate
CID 174455229
2-methylidene-N-octyl-N-phenylundecanamide
CID 54081211
N-dodecyl-N-phenylhydroxylamine
CID 159931126
2,6-difluoro-N-pentyl-N-phenylbenzamide
CID 135075330
N-hexadecyl-4-methoxy-N-phenylbenzamide
CID 13203872
N-butyl-N-phenylprop-2-enamide
CID 43619884
N-ethyl-N-phenyloctadecanamide
CID 151424183
hexyl(thiophen-2-yl)carbamic acid
CID 174246843
3-(N-octanoylanilino)propanoic acid
CID 60831115

Frequently Asked Questions

What is the IUPAC name of octyl(phenyl)carbamic acid?
The IUPAC name of octyl(phenyl)carbamic acid (CID 54301990) is octyl(phenyl)carbamic acid.
What is the SMILES notation for octyl(phenyl)carbamic acid?
The canonical SMILES for octyl(phenyl)carbamic acid is CCCCCCCCN(C(=O)O)c1ccccc1.
What is the InChIKey of octyl(phenyl)carbamic acid?
The InChIKey is SEWJXBVXGXZTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-3-4-5-6-10-13-16(15(17)18)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3,(H,17,18).
What are the key properties of octyl(phenyl)carbamic acid?
octyl(phenyl)carbamic acid has a molecular weight of 249.35 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octyl(phenyl)carbamic acid is sourced from PubChem (CID 54301990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).