1-[(2-ethylphenyl)methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea

C17H26N2O2 — CID 111631134

IUPAC1-[(2-ethylphenyl)methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
SMILESCCc1ccccc1CNC(=O)NC1CCCCC1CO
InChIInChI=1S/C17H26N2O2/c1-2-13-7-3-4-8-14(13)11-18-17(21)19-16-10-6-5-9-15(16)12-20/h3-4,7-8,15-16,20H,2,5-6,9-12H2,1H3,(H2,18,19,21)
InChIKeyNDBNMJPWMRZURD-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.60
Rot. Bonds5

About 1-[(2-ethylphenyl)methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea

1-[(2-ethylphenyl)methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea (PubChem CID 111631134) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[(2-ethylphenyl)methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-[(2-ethylphenyl)methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
PubChem CID111631134
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[(2-ethylphenyl)methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
SMILESCCc1ccccc1CNC(=O)NC1CCCCC1CO
InChIInChI=1S/C17H26N2O2/c1-2-13-7-3-4-8-14(13)11-18-17(21)19-16-10-6-5-9-15(16)12-20/h3-4,7-8,15-16,20H,2,5-6,9-12H2,1H3,(H2,18,19,21)
InChIKeyNDBNMJPWMRZURD-UHFFFAOYSA-N
XLogP2.60
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylcyclohexyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111458038
1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-imidazol-1-ylphenyl)methyl]urea
CID 111630738
1-[2-(hydroxymethyl)cyclohexyl]-3-(thiophen-2-ylmethyl)urea
CID 111630265
1-[[4-(dimethylamino)phenyl]methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111630142
1-[2-(hydroxymethyl)cyclohexyl]-3-propylurea
CID 103722438
N-[2-(hydroxymethyl)cyclohexyl]-2-(2-methoxyphenyl)acetamide
CID 103798304
1-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 97008021
N-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]propanamide
CID 23761302
1-butyl-3-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]urea
CID 96569161
1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-phenyloxolan-3-yl)methyl]urea
CID 71864345
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propylcyclopropyl)urea
CID 111505588

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylphenyl)methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea?
The IUPAC name of 1-[(2-ethylphenyl)methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea (CID 111631134) is 1-[(2-ethylphenyl)methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea.
What is the SMILES notation for 1-[(2-ethylphenyl)methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea?
The canonical SMILES for 1-[(2-ethylphenyl)methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea is CCc1ccccc1CNC(=O)NC1CCCCC1CO.
What is the InChIKey of 1-[(2-ethylphenyl)methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea?
The InChIKey is NDBNMJPWMRZURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-13-7-3-4-8-14(13)11-18-17(21)19-16-10-6-5-9-15(16)12-20/h3-4,7-8,15-16,20H,2,5-6,9-12H2,1H3,(H2,18,19,21).
What are the key properties of 1-[(2-ethylphenyl)methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea?
1-[(2-ethylphenyl)methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea has a molecular weight of 290.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylphenyl)methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea is sourced from PubChem (CID 111631134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).