1-(2,4-dimethylphenyl)-3-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]urea

C16H24N2O2 — CID 96569546

IUPAC1-(2,4-dimethylphenyl)-3-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]urea
SMILESCc1ccc(NC(=O)N[C@H]2CCCC[C@H]2CO)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-11-7-8-14(12(2)9-11)17-16(20)18-15-6-4-3-5-13(15)10-19/h7-9,13,15,19H,3-6,10H2,1-2H3,(H2,17,18,20)/t13-,15-/m0/s1
InChIKeyIQHAGQQHSHAHIP-ZFWWWQNUSA-N
MW276.38 g/mol
LogP2.98
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-3-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]urea

1-(2,4-dimethylphenyl)-3-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]urea (PubChem CID 96569546) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]urea
PubChem CID96569546
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(2,4-dimethylphenyl)-3-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]urea
SMILESCc1ccc(NC(=O)N[C@H]2CCCC[C@H]2CO)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-11-7-8-14(12(2)9-11)17-16(20)18-15-6-4-3-5-13(15)10-19/h7-9,13,15,19H,3-6,10H2,1-2H3,(H2,17,18,20)/t13-,15-/m0/s1
InChIKeyIQHAGQQHSHAHIP-ZFWWWQNUSA-N
XLogP2.98
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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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
1-[2-(hydroxymethyl)cyclohexyl]-3-(2-methoxy-5-methylphenyl)urea
CID 111636078
1-(2,4-dimethylphenyl)-3-(2-methylcyclohexyl)urea
CID 17265372
1-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-3-(3-methyl-4-pyridinyl)urea
CID 97331929
2-(2,5-dimethylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 103798521
1-(3-bromo-2-methylphenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111636925
1-(2,4-difluorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea
CID 103710023
(E)-3-(2,4-dimethylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103860372
1-(2-cyano-4-fluorophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111926835
1-(2,5-dimethylphenyl)-3-(2-hydroxycyclohexyl)urea
CID 75948752
1-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea
CID 103709932

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]urea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]urea (CID 96569546) is 1-(2,4-dimethylphenyl)-3-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]urea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]urea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]urea is Cc1ccc(NC(=O)N[C@H]2CCCC[C@H]2CO)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]urea?
The InChIKey is IQHAGQQHSHAHIP-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-7-8-14(12(2)9-11)17-16(20)18-15-6-4-3-5-13(15)10-19/h7-9,13,15,19H,3-6,10H2,1-2H3,(H2,17,18,20)/t13-,15-/m0/s1.
What are the key properties of 1-(2,4-dimethylphenyl)-3-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]urea?
1-(2,4-dimethylphenyl)-3-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]urea has a molecular weight of 276.38 g/mol, XLogP of 2.98, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]urea is sourced from PubChem (CID 96569546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).