1-[2-(hydroxymethyl)cyclohexyl]-3-(2-methoxy-5-methylphenyl)urea

C16H24N2O3 — CID 111636078

IUPAC1-[2-(hydroxymethyl)cyclohexyl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)NC1CCCCC1CO
InChIInChI=1S/C16H24N2O3/c1-11-7-8-15(21-2)14(9-11)18-16(20)17-13-6-4-3-5-12(13)10-19/h7-9,12-13,19H,3-6,10H2,1-2H3,(H2,17,18,20)
InChIKeyZZLIZESCSJBUII-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.68
Rot. Bonds4

About 1-[2-(hydroxymethyl)cyclohexyl]-3-(2-methoxy-5-methylphenyl)urea

1-[2-(hydroxymethyl)cyclohexyl]-3-(2-methoxy-5-methylphenyl)urea (PubChem CID 111636078) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)cyclohexyl]-3-(2-methoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)cyclohexyl]-3-(2-methoxy-5-methylphenyl)urea
PubChem CID111636078
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[2-(hydroxymethyl)cyclohexyl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)NC1CCCCC1CO
InChIInChI=1S/C16H24N2O3/c1-11-7-8-15(21-2)14(9-11)18-16(20)17-13-6-4-3-5-12(13)10-19/h7-9,12-13,19H,3-6,10H2,1-2H3,(H2,17,18,20)
InChIKeyZZLIZESCSJBUII-UHFFFAOYSA-N
XLogP2.68
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-(hydroxymethyl)cyclohexyl]-3-(2-methoxy-5-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-(2,4-dimethylphenyl)-3-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]urea
CID 96569546
N-[2-(hydroxymethyl)cyclohexyl]-2-methoxy-5-methylbenzamide
CID 106364492
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 111631319
cis-(1R,3S)-3-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324088
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
1-(4-ethoxy-2-methylphenyl)-3-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]urea
CID 96525276
1-(4-ethoxy-2-methylphenyl)-3-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]urea
CID 96525275
1-(3-bromo-2-methylphenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111636925
N-[2-(hydroxymethyl)cyclohexyl]-2-(2-methoxyphenyl)acetamide
CID 103798304
1-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-3-(3-methyl-4-pyridinyl)urea
CID 97331929
2-amino-N-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxamide
CID 64818120
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-methoxy-5-methylphenyl)urea
CID 111976234

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)cyclohexyl]-3-(2-methoxy-5-methylphenyl)urea?
The IUPAC name of 1-[2-(hydroxymethyl)cyclohexyl]-3-(2-methoxy-5-methylphenyl)urea (CID 111636078) is 1-[2-(hydroxymethyl)cyclohexyl]-3-(2-methoxy-5-methylphenyl)urea.
What is the SMILES notation for 1-[2-(hydroxymethyl)cyclohexyl]-3-(2-methoxy-5-methylphenyl)urea?
The canonical SMILES for 1-[2-(hydroxymethyl)cyclohexyl]-3-(2-methoxy-5-methylphenyl)urea is COc1ccc(C)cc1NC(=O)NC1CCCCC1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)cyclohexyl]-3-(2-methoxy-5-methylphenyl)urea?
The InChIKey is ZZLIZESCSJBUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-7-8-15(21-2)14(9-11)18-16(20)17-13-6-4-3-5-12(13)10-19/h7-9,12-13,19H,3-6,10H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[2-(hydroxymethyl)cyclohexyl]-3-(2-methoxy-5-methylphenyl)urea?
1-[2-(hydroxymethyl)cyclohexyl]-3-(2-methoxy-5-methylphenyl)urea has a molecular weight of 292.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)cyclohexyl]-3-(2-methoxy-5-methylphenyl)urea is sourced from PubChem (CID 111636078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).