1-[(3,5-dimethylcyclohexyl)methyl]-3-[(3-methoxy-2-methylphenyl)methyl]urea

C19H30N2O2 — CID 166381122

IUPAC1-[(3,5-dimethylcyclohexyl)methyl]-3-[(3-methoxy-2-methylphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)NCC2CC(C)CC(C)C2)c1C
InChIInChI=1S/C19H30N2O2/c1-13-8-14(2)10-16(9-13)11-20-19(22)21-12-17-6-5-7-18(23-4)15(17)3/h5-7,13-14,16H,8-12H2,1-4H3,(H2,20,21,22)
InChIKeyTZEZXKPFHCVOGQ-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.88
Rot. Bonds5

About 1-[(3,5-dimethylcyclohexyl)methyl]-3-[(3-methoxy-2-methylphenyl)methyl]urea

1-[(3,5-dimethylcyclohexyl)methyl]-3-[(3-methoxy-2-methylphenyl)methyl]urea (PubChem CID 166381122) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-[(3,5-dimethylcyclohexyl)methyl]-3-[(3-methoxy-2-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(3,5-dimethylcyclohexyl)methyl]-3-[(3-methoxy-2-methylphenyl)methyl]urea
PubChem CID166381122
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name1-[(3,5-dimethylcyclohexyl)methyl]-3-[(3-methoxy-2-methylphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)NCC2CC(C)CC(C)C2)c1C
InChIInChI=1S/C19H30N2O2/c1-13-8-14(2)10-16(9-13)11-20-19(22)21-12-17-6-5-7-18(23-4)15(17)3/h5-7,13-14,16H,8-12H2,1-4H3,(H2,20,21,22)
InChIKeyTZEZXKPFHCVOGQ-UHFFFAOYSA-N
XLogP3.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-[(4-methoxy-2,3-dimethylphenyl)methyl]urea
CID 110775172
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
N-[(3-hydroxycyclobutyl)methyl]-2,6-dimethoxybenzamide
CID 66004920
1-[(4-chloro-2-methoxyphenyl)methyl]-3-(piperidin-4-ylmethyl)urea
CID 166237713
1-(cyclopropylmethyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111457988
1-[2-(2-methoxyphenyl)ethyl]-3-(oxan-4-ylmethyl)urea
CID 108913018
1-[(2-methoxyphenyl)methyl]-3-propylurea
CID 94828368
1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(4-methoxy-3-methylphenyl)methyl]urea
CID 99792914
2-(3-methoxy-2-methylphenyl)acetamide
CID 141044512
N-[(3-methoxy-2-methylphenyl)methyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 167812395
1-benzyl-3-(3-methoxy-2-methylphenyl)urea
CID 2823230
3-[(4-methoxy-2,3-dimethylphenyl)methylamino]-3-oxopropanoic acid
CID 115163405

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylcyclohexyl)methyl]-3-[(3-methoxy-2-methylphenyl)methyl]urea?
The IUPAC name of 1-[(3,5-dimethylcyclohexyl)methyl]-3-[(3-methoxy-2-methylphenyl)methyl]urea (CID 166381122) is 1-[(3,5-dimethylcyclohexyl)methyl]-3-[(3-methoxy-2-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[(3,5-dimethylcyclohexyl)methyl]-3-[(3-methoxy-2-methylphenyl)methyl]urea?
The canonical SMILES for 1-[(3,5-dimethylcyclohexyl)methyl]-3-[(3-methoxy-2-methylphenyl)methyl]urea is COc1cccc(CNC(=O)NCC2CC(C)CC(C)C2)c1C.
What is the InChIKey of 1-[(3,5-dimethylcyclohexyl)methyl]-3-[(3-methoxy-2-methylphenyl)methyl]urea?
The InChIKey is TZEZXKPFHCVOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-13-8-14(2)10-16(9-13)11-20-19(22)21-12-17-6-5-7-18(23-4)15(17)3/h5-7,13-14,16H,8-12H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-[(3,5-dimethylcyclohexyl)methyl]-3-[(3-methoxy-2-methylphenyl)methyl]urea?
1-[(3,5-dimethylcyclohexyl)methyl]-3-[(3-methoxy-2-methylphenyl)methyl]urea has a molecular weight of 318.46 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylcyclohexyl)methyl]-3-[(3-methoxy-2-methylphenyl)methyl]urea is sourced from PubChem (CID 166381122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).