2-(N-acetyl-3,4-dimethylanilino)-N-cyclohexylacetamide

C18H26N2O2 — CID 113168245

IUPAC2-(N-acetyl-3,4-dimethylanilino)-N-cyclohexylacetamide
SMILESCC(=O)N(CC(=O)NC1CCCCC1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H26N2O2/c1-13-9-10-17(11-14(13)2)20(15(3)21)12-18(22)19-16-7-5-4-6-8-16/h9-11,16H,4-8,12H2,1-3H3,(H,19,22)
InChIKeyLJWJAQDETJYQOL-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.11
Rot. Bonds4

About 2-(N-acetyl-3,4-dimethylanilino)-N-cyclohexylacetamide

2-(N-acetyl-3,4-dimethylanilino)-N-cyclohexylacetamide (PubChem CID 113168245) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(N-acetyl-3,4-dimethylanilino)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,4-dimethylanilino)-N-cyclohexylacetamide
PubChem CID113168245
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-(N-acetyl-3,4-dimethylanilino)-N-cyclohexylacetamide
SMILESCC(=O)N(CC(=O)NC1CCCCC1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H26N2O2/c1-13-9-10-17(11-14(13)2)20(15(3)21)12-18(22)19-16-7-5-4-6-8-16/h9-11,16H,4-8,12H2,1-3H3,(H,19,22)
InChIKeyLJWJAQDETJYQOL-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-3,4-dimethylanilino)-N-cyclopropylacetamide
CID 113168237
2-(N-acetyl-3-chloro-4-methylanilino)-N-cycloheptylacetamide
CID 113172228
ethyl 4-[[2-(N-acetyl-3,4-dimethylanilino)acetyl]amino]piperidine-1-carboxylate
CID 113168296
2-(N-acetyl-4-ethylanilino)-N-cycloheptylacetamide
CID 113169281
N-cyclohexyl-2-(N,3-diacetylanilino)acetamide
CID 113175380
2-(N-acetylanilino)-N-cyclopentylacetamide
CID 113167073
2-(N-acetyl-2,6-dimethylanilino)-N-cyclohexylacetamide
CID 113168633
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide
CID 3219269
2-(N-acetyl-3-methoxyanilino)-N-cycloheptylacetamide
CID 113173369
methyl 3-[acetyl-[2-(cycloheptylamino)-2-oxoethyl]amino]benzoate
CID 113176252
2-(N-acetyl-3-methylanilino)-N-cyclopropylacetamide
CID 113167455
2-(N-acetyl-2,3-dimethylanilino)-N-cycloheptylacetamide
CID 113168893

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,4-dimethylanilino)-N-cyclohexylacetamide?
The IUPAC name of 2-(N-acetyl-3,4-dimethylanilino)-N-cyclohexylacetamide (CID 113168245) is 2-(N-acetyl-3,4-dimethylanilino)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(N-acetyl-3,4-dimethylanilino)-N-cyclohexylacetamide?
The canonical SMILES for 2-(N-acetyl-3,4-dimethylanilino)-N-cyclohexylacetamide is CC(=O)N(CC(=O)NC1CCCCC1)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(N-acetyl-3,4-dimethylanilino)-N-cyclohexylacetamide?
The InChIKey is LJWJAQDETJYQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-9-10-17(11-14(13)2)20(15(3)21)12-18(22)19-16-7-5-4-6-8-16/h9-11,16H,4-8,12H2,1-3H3,(H,19,22).
What are the key properties of 2-(N-acetyl-3,4-dimethylanilino)-N-cyclohexylacetamide?
2-(N-acetyl-3,4-dimethylanilino)-N-cyclohexylacetamide has a molecular weight of 302.42 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3,4-dimethylanilino)-N-cyclohexylacetamide is sourced from PubChem (CID 113168245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).