1-[1-(2,4-dimethylphenyl)propan-2-yl]-3-[(3-hydroxycyclohexyl)methyl]urea

C19H30N2O2 — CID 111506164

IUPAC1-[1-(2,4-dimethylphenyl)propan-2-yl]-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESCc1ccc(CC(C)NC(=O)NCC2CCCC(O)C2)c(C)c1
InChIInChI=1S/C19H30N2O2/c1-13-7-8-17(14(2)9-13)10-15(3)21-19(23)20-12-16-5-4-6-18(22)11-16/h7-9,15-16,18,22H,4-6,10-12H2,1-3H3,(H2,20,21,23)
InChIKeyFBKDBIMKXDDREK-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.08
Rot. Bonds5

About 1-[1-(2,4-dimethylphenyl)propan-2-yl]-3-[(3-hydroxycyclohexyl)methyl]urea

1-[1-(2,4-dimethylphenyl)propan-2-yl]-3-[(3-hydroxycyclohexyl)methyl]urea (PubChem CID 111506164) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-[1-(2,4-dimethylphenyl)propan-2-yl]-3-[(3-hydroxycyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2,4-dimethylphenyl)propan-2-yl]-3-[(3-hydroxycyclohexyl)methyl]urea
PubChem CID111506164
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name1-[1-(2,4-dimethylphenyl)propan-2-yl]-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESCc1ccc(CC(C)NC(=O)NCC2CCCC(O)C2)c(C)c1
InChIInChI=1S/C19H30N2O2/c1-13-7-8-17(14(2)9-13)10-15(3)21-19(23)20-12-16-5-4-6-18(22)11-16/h7-9,15-16,18,22H,4-6,10-12H2,1-3H3,(H2,20,21,23)
InChIKeyFBKDBIMKXDDREK-UHFFFAOYSA-N
XLogP3.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[1-(2,4-dimethylphenyl)propan-2-yl]-3-[(3-hydroxycyclohexyl)methyl]urea with MolForge

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Related Compounds

3-[[(2,4-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699981
N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110014569
3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119779218
3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 119779219
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-[1-(2,4-difluorophenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111503713
2-fluoro-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 103733972
1-[1-(2,4-dimethylphenyl)propan-2-yl]-3-[(3-hydroxythiolan-3-yl)methyl]urea
CID 71925079
1-(3,4-dimethylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472619
1-amino-N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3-hydroxycyclobutane-1-carboxamide
CID 164636835
N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride
CID 119321004

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethylphenyl)propan-2-yl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The IUPAC name of 1-[1-(2,4-dimethylphenyl)propan-2-yl]-3-[(3-hydroxycyclohexyl)methyl]urea (CID 111506164) is 1-[1-(2,4-dimethylphenyl)propan-2-yl]-3-[(3-hydroxycyclohexyl)methyl]urea.
What is the SMILES notation for 1-[1-(2,4-dimethylphenyl)propan-2-yl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The canonical SMILES for 1-[1-(2,4-dimethylphenyl)propan-2-yl]-3-[(3-hydroxycyclohexyl)methyl]urea is Cc1ccc(CC(C)NC(=O)NCC2CCCC(O)C2)c(C)c1.
What is the InChIKey of 1-[1-(2,4-dimethylphenyl)propan-2-yl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The InChIKey is FBKDBIMKXDDREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-13-7-8-17(14(2)9-13)10-15(3)21-19(23)20-12-16-5-4-6-18(22)11-16/h7-9,15-16,18,22H,4-6,10-12H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-[1-(2,4-dimethylphenyl)propan-2-yl]-3-[(3-hydroxycyclohexyl)methyl]urea?
1-[1-(2,4-dimethylphenyl)propan-2-yl]-3-[(3-hydroxycyclohexyl)methyl]urea has a molecular weight of 318.46 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethylphenyl)propan-2-yl]-3-[(3-hydroxycyclohexyl)methyl]urea is sourced from PubChem (CID 111506164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).