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

C16H24N2O2 — CID 111472619

IUPAC1-(3,4-dimethylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESCc1ccc(NC(=O)NCC2CCCC(O)C2)cc1C
InChIInChI=1S/C16H24N2O2/c1-11-6-7-14(8-12(11)2)18-16(20)17-10-13-4-3-5-15(19)9-13/h6-8,13,15,19H,3-5,9-10H2,1-2H3,(H2,17,18,20)
InChIKeyFJZGOPXBGIOKLZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.98
Rot. Bonds3

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

1-(3,4-dimethylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea (PubChem CID 111472619) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
PubChem CID111472619
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(3,4-dimethylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESCc1ccc(NC(=O)NCC2CCCC(O)C2)cc1C
InChIInChI=1S/C16H24N2O2/c1-11-6-7-14(8-12(11)2)18-16(20)17-10-13-4-3-5-15(19)9-13/h6-8,13,15,19H,3-5,9-10H2,1-2H3,(H2,17,18,20)
InChIKeyFJZGOPXBGIOKLZ-UHFFFAOYSA-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

N'-(3,4-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide
CID 111490629
1-[4-(dimethylamino)-3-methylphenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111473697
1-[4-(dimethylamino)phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472680
1-(5-fluoro-2-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472992
1-(3,4-dimethylphenyl)-3-[(1R,3S)-3-hydroxycyclohexyl]urea
CID 95983941
1-[(3-hydroxycyclohexyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 111473469
4-(3,4-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]-4-oxobutanamide
CID 111460092
1-(2-chloro-4-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472842
1-(2-fluoro-5-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111473171
1-[(3-hydroxycyclohexyl)methyl]-3-[3-(2-methylpropoxy)phenyl]urea
CID 111473884
3-(3,4-dimethylphenyl)sulfanyl-N-[(3-hydroxycyclohexyl)methyl]propanamide
CID 111460314
1-(3-bromo-5-fluorophenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111476022

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea (CID 111472619) is 1-(3,4-dimethylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea is Cc1ccc(NC(=O)NCC2CCCC(O)C2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea?
The InChIKey is FJZGOPXBGIOKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-6-7-14(8-12(11)2)18-16(20)17-10-13-4-3-5-15(19)9-13/h6-8,13,15,19H,3-5,9-10H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(3,4-dimethylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea?
1-(3,4-dimethylphenyl)-3-[(3-hydroxycyclohexyl)methyl]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-(3,4-dimethylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea is sourced from PubChem (CID 111472619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).