1-(2,4-dimethylcyclohexyl)-3-[4-(1-hydroxyethyl)phenyl]urea

C17H26N2O2 — CID 63999209

IUPAC1-(2,4-dimethylcyclohexyl)-3-[4-(1-hydroxyethyl)phenyl]urea
SMILESCC1CCC(NC(=O)Nc2ccc(C(C)O)cc2)C(C)C1
InChIInChI=1S/C17H26N2O2/c1-11-4-9-16(12(2)10-11)19-17(21)18-15-7-5-14(6-8-15)13(3)20/h5-8,11-13,16,20H,4,9-10H2,1-3H3,(H2,18,19,21)
InChIKeyNIOVKAMLJGBJBQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.69
Rot. Bonds3

About 1-(2,4-dimethylcyclohexyl)-3-[4-(1-hydroxyethyl)phenyl]urea

1-(2,4-dimethylcyclohexyl)-3-[4-(1-hydroxyethyl)phenyl]urea (PubChem CID 63999209) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(2,4-dimethylcyclohexyl)-3-[4-(1-hydroxyethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethylcyclohexyl)-3-[4-(1-hydroxyethyl)phenyl]urea
PubChem CID63999209
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(2,4-dimethylcyclohexyl)-3-[4-(1-hydroxyethyl)phenyl]urea
SMILESCC1CCC(NC(=O)Nc2ccc(C(C)O)cc2)C(C)C1
InChIInChI=1S/C17H26N2O2/c1-11-4-9-16(12(2)10-11)19-17(21)18-15-7-5-14(6-8-15)13(3)20/h5-8,11-13,16,20H,4,9-10H2,1-3H3,(H2,18,19,21)
InChIKeyNIOVKAMLJGBJBQ-UHFFFAOYSA-N
XLogP3.69
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-hydroxyethyl)phenyl]-3-(3-methylcyclopentyl)urea
CID 114539712
1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-methylcyclopropyl)urea
CID 55071535
N-[4-(1-hydroxyethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 43508348
1-(2,2-dimethylcyclopentyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 79872586
1-(3,4-dimethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346481
2-cyclopropyl-N-[4-(1-hydroxyethyl)phenyl]propanamide
CID 83148427
1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 40784836
1-(4-aminophenyl)-3-(2-methylcyclopentyl)urea
CID 63279412
1-(2,4-dimethylcyclohexyl)-3-ethylurea
CID 115626414
1-[4-(1-aminoethyl)phenyl]-3-[(3-methylcyclopentyl)methyl]urea
CID 107415057
1-(2,4-dimethylcyclohexyl)-3-(1-hydroxybutan-2-yl)urea
CID 111123431
4-[(2-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61191186

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylcyclohexyl)-3-[4-(1-hydroxyethyl)phenyl]urea?
The IUPAC name of 1-(2,4-dimethylcyclohexyl)-3-[4-(1-hydroxyethyl)phenyl]urea (CID 63999209) is 1-(2,4-dimethylcyclohexyl)-3-[4-(1-hydroxyethyl)phenyl]urea.
What is the SMILES notation for 1-(2,4-dimethylcyclohexyl)-3-[4-(1-hydroxyethyl)phenyl]urea?
The canonical SMILES for 1-(2,4-dimethylcyclohexyl)-3-[4-(1-hydroxyethyl)phenyl]urea is CC1CCC(NC(=O)Nc2ccc(C(C)O)cc2)C(C)C1.
What is the InChIKey of 1-(2,4-dimethylcyclohexyl)-3-[4-(1-hydroxyethyl)phenyl]urea?
The InChIKey is NIOVKAMLJGBJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11-4-9-16(12(2)10-11)19-17(21)18-15-7-5-14(6-8-15)13(3)20/h5-8,11-13,16,20H,4,9-10H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-(2,4-dimethylcyclohexyl)-3-[4-(1-hydroxyethyl)phenyl]urea?
1-(2,4-dimethylcyclohexyl)-3-[4-(1-hydroxyethyl)phenyl]urea has a molecular weight of 290.41 g/mol, XLogP of 3.69, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylcyclohexyl)-3-[4-(1-hydroxyethyl)phenyl]urea is sourced from PubChem (CID 63999209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).