1-(4-ethoxy-2-methylphenyl)-3-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]urea

C17H26N2O3 — CID 96525275

IUPAC1-(4-ethoxy-2-methylphenyl)-3-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]urea
SMILESCCOc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2CO)c(C)c1
InChIInChI=1S/C17H26N2O3/c1-3-22-14-8-9-15(12(2)10-14)18-17(21)19-16-7-5-4-6-13(16)11-20/h8-10,13,16,20H,3-7,11H2,1-2H3,(H2,18,19,21)/t13-,16+/m1/s1
InChIKeyUSLMYNWKEOCNTE-CJNGLKHVSA-N
MW306.41 g/mol
LogP3.07
Rot. Bonds5

About 1-(4-ethoxy-2-methylphenyl)-3-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]urea

1-(4-ethoxy-2-methylphenyl)-3-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]urea (PubChem CID 96525275) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(4-ethoxy-2-methylphenyl)-3-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(4-ethoxy-2-methylphenyl)-3-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]urea
PubChem CID96525275
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-(4-ethoxy-2-methylphenyl)-3-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]urea
SMILESCCOc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2CO)c(C)c1
InChIInChI=1S/C17H26N2O3/c1-3-22-14-8-9-15(12(2)10-14)18-17(21)19-16-7-5-4-6-13(16)11-20/h8-10,13,16,20H,3-7,11H2,1-2H3,(H2,18,19,21)/t13-,16+/m1/s1
InChIKeyUSLMYNWKEOCNTE-CJNGLKHVSA-N
XLogP3.07
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.07
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-(2-hydroxycyclohexyl)urea
CID 110933023
1-(2,4-dimethylphenyl)-3-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]urea
CID 96569546
1-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-3-(3-methyl-4-pyridinyl)urea
CID 97331929
4-ethoxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751428
1-(4-ethoxy-2-methylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47264843
1-[2-(hydroxymethyl)cyclohexyl]-3-(2-methoxy-5-methylphenyl)urea
CID 111636078
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-ethoxy-2-methylphenyl)urea
CID 111976325
1-(3-bromo-2-methylphenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111636925
2-[(4-methoxy-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64816365
1-(2,4-difluorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea
CID 103710023
4-amino-N-(4-ethoxy-2-methylphenyl)cyclohexane-1-carboxamide
CID 60928404

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2-methylphenyl)-3-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]urea?
The IUPAC name of 1-(4-ethoxy-2-methylphenyl)-3-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]urea (CID 96525275) is 1-(4-ethoxy-2-methylphenyl)-3-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]urea.
What is the SMILES notation for 1-(4-ethoxy-2-methylphenyl)-3-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]urea?
The canonical SMILES for 1-(4-ethoxy-2-methylphenyl)-3-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]urea is CCOc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2CO)c(C)c1.
What is the InChIKey of 1-(4-ethoxy-2-methylphenyl)-3-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]urea?
The InChIKey is USLMYNWKEOCNTE-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-3-22-14-8-9-15(12(2)10-14)18-17(21)19-16-7-5-4-6-13(16)11-20/h8-10,13,16,20H,3-7,11H2,1-2H3,(H2,18,19,21)/t13-,16+/m1/s1.
What are the key properties of 1-(4-ethoxy-2-methylphenyl)-3-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]urea?
1-(4-ethoxy-2-methylphenyl)-3-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]urea has a molecular weight of 306.41 g/mol, XLogP of 3.07, 5 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-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]urea is sourced from PubChem (CID 96525275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).