1-[acetyl(methyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide

C18H26N2O2 — CID 830885

IUPAC1-[acetyl(methyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
SMILESCC(=O)N(C)C1(C(=O)Nc2c(C)cccc2C)CCCCC1
InChIInChI=1S/C18H26N2O2/c1-13-9-8-10-14(2)16(13)19-17(22)18(20(4)15(3)21)11-6-5-7-12-18/h8-10H,5-7,11-12H2,1-4H3,(H,19,22)
InChIKeyUCNBGWNLCYTBTO-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.42
Rot. Bonds3

About 1-[acetyl(methyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide

1-[acetyl(methyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide (PubChem CID 830885) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[acetyl(methyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[acetyl(methyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
PubChem CID830885
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-[acetyl(methyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
SMILESCC(=O)N(C)C1(C(=O)Nc2c(C)cccc2C)CCCCC1
InChIInChI=1S/C18H26N2O2/c1-13-9-8-10-14(2)16(13)19-17(22)18(20(4)15(3)21)11-6-5-7-12-18/h8-10H,5-7,11-12H2,1-4H3,(H,19,22)
InChIKeyUCNBGWNLCYTBTO-UHFFFAOYSA-N
XLogP3.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[acetyl(methyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-[acetyl(methyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide (CID 830885) is 1-[acetyl(methyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[acetyl(methyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-[acetyl(methyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide is CC(=O)N(C)C1(C(=O)Nc2c(C)cccc2C)CCCCC1.
What is the InChIKey of 1-[acetyl(methyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide?
The InChIKey is UCNBGWNLCYTBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-9-8-10-14(2)16(13)19-17(22)18(20(4)15(3)21)11-6-5-7-12-18/h8-10H,5-7,11-12H2,1-4H3,(H,19,22).
What are the key properties of 1-[acetyl(methyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide?
1-[acetyl(methyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[acetyl(methyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 830885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).