1-hexan-3-yl-3-(4-methylphenyl)urea

C14H22N2O — CID 134360432

IUPAC1-hexan-3-yl-3-(4-methylphenyl)urea
SMILESCCCC(CC)NC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C14H22N2O/c1-4-6-12(5-2)15-14(17)16-13-9-7-11(3)8-10-13/h7-10,12H,4-6H2,1-3H3,(H2,15,16,17)
InChIKeyXLJUKKFAPRTZGE-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.70
Rot. Bonds5

About 1-hexan-3-yl-3-(4-methylphenyl)urea

1-hexan-3-yl-3-(4-methylphenyl)urea (PubChem CID 134360432) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-hexan-3-yl-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-hexan-3-yl-3-(4-methylphenyl)urea
PubChem CID134360432
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-hexan-3-yl-3-(4-methylphenyl)urea
SMILESCCCC(CC)NC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C14H22N2O/c1-4-6-12(5-2)15-14(17)16-13-9-7-11(3)8-10-13/h7-10,12H,4-6H2,1-3H3,(H2,15,16,17)
InChIKeyXLJUKKFAPRTZGE-UHFFFAOYSA-N
XLogP3.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-hexan-3-yl-3-(4-methylphenyl)urea 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

1-(4-ethylphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111452689
2-fluoro-4-(hexan-3-ylcarbamoylamino)benzoic acid
CID 107796239
1-(4-butylphenyl)-3-pentan-3-ylurea
CID 17279678
1-(4-chlorophenyl)-3-[(3R)-1-[(4-chlorophenyl)carbamoylamino]pentan-3-yl]urea
CID 40625211
1-(4-acetylphenyl)-3-octan-4-ylurea
CID 106025098
1-(1-amino-1-sulfanylidenebutan-2-yl)-3-(4-methylphenyl)urea
CID 61122605
1-(4-ethoxyphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111452541
2-(1-hydroxybutan-2-ylamino)-N-(4-methylphenyl)acetamide
CID 43389753
1-(1-hydroxypentan-3-yl)-3-[4-(methylsulfanylmethyl)phenyl]urea
CID 111453411
1-(4-methoxyphenyl)-3-[1-[(4-methoxyphenyl)carbamoylamino]pentan-3-yl]urea
CID 55629361
1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea
CID 108894071
1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 841933

Frequently Asked Questions

What is the IUPAC name of 1-hexan-3-yl-3-(4-methylphenyl)urea?
The IUPAC name of 1-hexan-3-yl-3-(4-methylphenyl)urea (CID 134360432) is 1-hexan-3-yl-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-hexan-3-yl-3-(4-methylphenyl)urea?
The canonical SMILES for 1-hexan-3-yl-3-(4-methylphenyl)urea is CCCC(CC)NC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 1-hexan-3-yl-3-(4-methylphenyl)urea?
The InChIKey is XLJUKKFAPRTZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-6-12(5-2)15-14(17)16-13-9-7-11(3)8-10-13/h7-10,12H,4-6H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-hexan-3-yl-3-(4-methylphenyl)urea?
1-hexan-3-yl-3-(4-methylphenyl)urea has a molecular weight of 234.34 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-3-yl-3-(4-methylphenyl)urea is sourced from PubChem (CID 134360432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).