1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxycyclohexyl)urea

C16H24N2O3 — CID 110933023

IUPAC1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxycyclohexyl)urea
SMILESCCOc1ccc(NC(=O)NC2CCCCC2O)c(C)c1
InChIInChI=1S/C16H24N2O3/c1-3-21-12-8-9-13(11(2)10-12)17-16(20)18-14-6-4-5-7-15(14)19/h8-10,14-15,19H,3-7H2,1-2H3,(H2,17,18,20)
InChIKeyNAJPVTWSQZHKNX-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.82
Rot. Bonds4

About 1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxycyclohexyl)urea

1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxycyclohexyl)urea (PubChem CID 110933023) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxycyclohexyl)urea
PubChem CID110933023
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxycyclohexyl)urea
SMILESCCOc1ccc(NC(=O)NC2CCCCC2O)c(C)c1
InChIInChI=1S/C16H24N2O3/c1-3-21-12-8-9-13(11(2)10-12)17-16(20)18-14-6-4-5-7-15(14)19/h8-10,14-15,19H,3-7H2,1-2H3,(H2,17,18,20)
InChIKeyNAJPVTWSQZHKNX-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-(4-ethoxyphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104956604
2-(3,4-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104957304
1-(4-ethoxy-2-methylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47264843
1-(2,5-dimethylphenyl)-3-(2-hydroxycyclohexyl)urea
CID 75948752
1-(4-butoxy-2-methylphenyl)-3-(4-hydroxycyclohexyl)urea
CID 60554326
2-[(4-methoxy-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64816365
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-ethoxy-2-methylphenyl)urea
CID 111976325
4-amino-N-(4-ethoxy-2-methylphenyl)cyclohexane-1-carboxamide
CID 60928404
2-chloro-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60933889
N-(4-ethoxy-2-methylphenyl)-2-methoxypropanamide
CID 47312187

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxycyclohexyl)urea?
The IUPAC name of 1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxycyclohexyl)urea (CID 110933023) is 1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxycyclohexyl)urea?
The canonical SMILES for 1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxycyclohexyl)urea is CCOc1ccc(NC(=O)NC2CCCCC2O)c(C)c1.
What is the InChIKey of 1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxycyclohexyl)urea?
The InChIKey is NAJPVTWSQZHKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-21-12-8-9-13(11(2)10-12)17-16(20)18-14-6-4-5-7-15(14)19/h8-10,14-15,19H,3-7H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxycyclohexyl)urea?
1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxycyclohexyl)urea has a molecular weight of 292.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxycyclohexyl)urea is sourced from PubChem (CID 110933023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).