1-(3-hydroxycyclohexyl)-3-[2-(4-methoxyphenyl)ethyl]urea

C16H24N2O3 — CID 71786236

IUPAC1-(3-hydroxycyclohexyl)-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NC2CCCC(O)C2)cc1
InChIInChI=1S/C16H24N2O3/c1-21-15-7-5-12(6-8-15)9-10-17-16(20)18-13-3-2-4-14(19)11-13/h5-8,13-14,19H,2-4,9-11H2,1H3,(H2,17,18,20)
InChIKeySSVFEDOJOCXUAX-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.84
Rot. Bonds5

About 1-(3-hydroxycyclohexyl)-3-[2-(4-methoxyphenyl)ethyl]urea

1-(3-hydroxycyclohexyl)-3-[2-(4-methoxyphenyl)ethyl]urea (PubChem CID 71786236) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(3-hydroxycyclohexyl)-3-[2-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-hydroxycyclohexyl)-3-[2-(4-methoxyphenyl)ethyl]urea
PubChem CID71786236
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-(3-hydroxycyclohexyl)-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NC2CCCC(O)C2)cc1
InChIInChI=1S/C16H24N2O3/c1-21-15-7-5-12(6-8-15)9-10-17-16(20)18-13-3-2-4-14(19)11-13/h5-8,13-14,19H,2-4,9-11H2,1H3,(H2,17,18,20)
InChIKeySSVFEDOJOCXUAX-UHFFFAOYSA-N
XLogP1.84
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxycyclohexyl)-3-(2-phenylethyl)urea
CID 71786227
N-[(1S,3S)-3-hydroxycyclohexyl]-4-methoxybenzamide
CID 95983830
1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylpiperidin-4-yl)urea
CID 11493037
1-[(4-methoxyphenyl)methyl]-3-(3-methylcyclohexyl)urea
CID 47172067
1-[(3,4-dimethoxyphenyl)methyl]-3-[(1R,3S)-3-hydroxycyclohexyl]urea
CID 95983969
1-[2-(4-methoxyphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 33425141
1-[2-(4-methoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564273
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
1-[3-(4-methoxyphenyl)propyl]-3-[(3R)-1-methylpiperidin-3-yl]urea
CID 94441247
1-(3-methylcyclohexyl)-3-(2-phenylethyl)urea
CID 47186131
cis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 11506917
3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 65444252

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxycyclohexyl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(3-hydroxycyclohexyl)-3-[2-(4-methoxyphenyl)ethyl]urea (CID 71786236) is 1-(3-hydroxycyclohexyl)-3-[2-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(3-hydroxycyclohexyl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(3-hydroxycyclohexyl)-3-[2-(4-methoxyphenyl)ethyl]urea is COc1ccc(CCNC(=O)NC2CCCC(O)C2)cc1.
What is the InChIKey of 1-(3-hydroxycyclohexyl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The InChIKey is SSVFEDOJOCXUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-21-15-7-5-12(6-8-15)9-10-17-16(20)18-13-3-2-4-14(19)11-13/h5-8,13-14,19H,2-4,9-11H2,1H3,(H2,17,18,20).
What are the key properties of 1-(3-hydroxycyclohexyl)-3-[2-(4-methoxyphenyl)ethyl]urea?
1-(3-hydroxycyclohexyl)-3-[2-(4-methoxyphenyl)ethyl]urea has a molecular weight of 292.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxycyclohexyl)-3-[2-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 71786236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).