1-(3,4-dimethylphenyl)-3-[(1R,3S)-3-hydroxycyclohexyl]urea

C15H22N2O2 — CID 95983941

IUPAC1-(3,4-dimethylphenyl)-3-[(1R,3S)-3-hydroxycyclohexyl]urea
SMILESCc1ccc(NC(=O)N[C@@H]2CCC[C@H](O)C2)cc1C
InChIInChI=1S/C15H22N2O2/c1-10-6-7-13(8-11(10)2)17-15(19)16-12-4-3-5-14(18)9-12/h6-8,12,14,18H,3-5,9H2,1-2H3,(H2,16,17,19)/t12-,14+/m1/s1
InChIKeyQFFCPHCFXMUHGN-OCCSQVGLSA-N
MW262.35 g/mol
LogP2.73
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-3-[(1R,3S)-3-hydroxycyclohexyl]urea

1-(3,4-dimethylphenyl)-3-[(1R,3S)-3-hydroxycyclohexyl]urea (PubChem CID 95983941) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-[(1R,3S)-3-hydroxycyclohexyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-[(1R,3S)-3-hydroxycyclohexyl]urea
PubChem CID95983941
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(3,4-dimethylphenyl)-3-[(1R,3S)-3-hydroxycyclohexyl]urea
SMILESCc1ccc(NC(=O)N[C@@H]2CCC[C@H](O)C2)cc1C
InChIInChI=1S/C15H22N2O2/c1-10-6-7-13(8-11(10)2)17-15(19)16-12-4-3-5-14(18)9-12/h6-8,12,14,18H,3-5,9H2,1-2H3,(H2,16,17,19)/t12-,14+/m1/s1
InChIKeyQFFCPHCFXMUHGN-OCCSQVGLSA-N
XLogP2.73
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472619
1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea
CID 115617939
1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 17279067
1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
CID 73352041
N'-(3,4-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide
CID 111490629
1-cyclopentyl-3-[3-(dimethylamino)-4-methylphenyl]urea
CID 116656999
1-(4-bromo-3,5-dimethylphenyl)-3-cyclobutylurea
CID 103582018
N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzamide
CID 95983826
1-(4-bromo-3-methylphenyl)-3-cyclopropylurea
CID 47127436
1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
CID 6469220
2-(cyclopropylcarbamoylamino)-N-(3,4-dimethylphenyl)acetamide
CID 47158827
4-[(3,4-dimethylphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66240339

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-[(1R,3S)-3-hydroxycyclohexyl]urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-[(1R,3S)-3-hydroxycyclohexyl]urea (CID 95983941) is 1-(3,4-dimethylphenyl)-3-[(1R,3S)-3-hydroxycyclohexyl]urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-[(1R,3S)-3-hydroxycyclohexyl]urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-[(1R,3S)-3-hydroxycyclohexyl]urea is Cc1ccc(NC(=O)N[C@@H]2CCC[C@H](O)C2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-[(1R,3S)-3-hydroxycyclohexyl]urea?
The InChIKey is QFFCPHCFXMUHGN-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-6-7-13(8-11(10)2)17-15(19)16-12-4-3-5-14(18)9-12/h6-8,12,14,18H,3-5,9H2,1-2H3,(H2,16,17,19)/t12-,14+/m1/s1.
What are the key properties of 1-(3,4-dimethylphenyl)-3-[(1R,3S)-3-hydroxycyclohexyl]urea?
1-(3,4-dimethylphenyl)-3-[(1R,3S)-3-hydroxycyclohexyl]urea has a molecular weight of 262.35 g/mol, XLogP of 2.73, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-[(1R,3S)-3-hydroxycyclohexyl]urea is sourced from PubChem (CID 95983941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).