(2,3-dihexylphenyl)carbamic acid

C19H31NO2 — CID 67251451

IUPAC(2,3-dihexylphenyl)carbamic acid
SMILESCCCCCCc1cccc(NC(=O)O)c1CCCCCC
InChIInChI=1S/C19H31NO2/c1-3-5-7-9-12-16-13-11-15-18(20-19(21)22)17(16)14-10-8-6-4-2/h11,13,15,20H,3-10,12,14H2,1-2H3,(H,21,22)
InChIKeySUAWNUWXJHOGGJ-UHFFFAOYSA-N
MW305.46 g/mol
LogP6.02
Rot. Bonds11

About (2,3-dihexylphenyl)carbamic acid

(2,3-dihexylphenyl)carbamic acid (PubChem CID 67251451) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is (2,3-dihexylphenyl)carbamic acid.

Molecular Properties

Compound Name(2,3-dihexylphenyl)carbamic acid
PubChem CID67251451
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name(2,3-dihexylphenyl)carbamic acid
SMILESCCCCCCc1cccc(NC(=O)O)c1CCCCCC
InChIInChI=1S/C19H31NO2/c1-3-5-7-9-12-16-13-11-15-18(20-19(21)22)17(16)14-10-8-6-4-2/h11,13,15,20H,3-10,12,14H2,1-2H3,(H,21,22)
InChIKeySUAWNUWXJHOGGJ-UHFFFAOYSA-N
XLogP6.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.46
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2,3-dihexylphenyl)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

(2,3-didodecylphenyl)carbamic acid
CID 151626949
[2,3-di(nonyl)phenyl]carbamothioic S-acid
CID 87179093
(2,3-dihexylphenyl)carbamothioic S-acid
CID 87178909
[2,3-di(nonyl)phenyl]urea
CID 175243703
(2-heptadecylphenyl)carbamic acid
CID 71374202
N-[2,3-di(nonyl)phenyl]-2,3-di(nonyl)aniline
CID 89444406
zinc bis(N-(2,3-dihexadecylphenyl)carbamodithioate)
CID 87179216
1-ethyl-2,3-dihexadecylbenzene
CID 154356590
2,3-dihexadecyl-N-phenylaniline
CID 139699998
10-[2-(9-carboxynonyl)-3-pentylphenyl]decanoic acid
CID 152622243
10-[2-(9-carboxynonyl)-3-heptylphenyl]decanoic acid
CID 151550347
1,2,3-tri(icosyl)benzene
CID 90987509

Frequently Asked Questions

What is the IUPAC name of (2,3-dihexylphenyl)carbamic acid?
The IUPAC name of (2,3-dihexylphenyl)carbamic acid (CID 67251451) is (2,3-dihexylphenyl)carbamic acid.
What is the SMILES notation for (2,3-dihexylphenyl)carbamic acid?
The canonical SMILES for (2,3-dihexylphenyl)carbamic acid is CCCCCCc1cccc(NC(=O)O)c1CCCCCC.
What is the InChIKey of (2,3-dihexylphenyl)carbamic acid?
The InChIKey is SUAWNUWXJHOGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-3-5-7-9-12-16-13-11-15-18(20-19(21)22)17(16)14-10-8-6-4-2/h11,13,15,20H,3-10,12,14H2,1-2H3,(H,21,22).
What are the key properties of (2,3-dihexylphenyl)carbamic acid?
(2,3-dihexylphenyl)carbamic acid has a molecular weight of 305.46 g/mol, XLogP of 6.02, 11 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dihexylphenyl)carbamic acid is sourced from PubChem (CID 67251451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).