2-(N-acetyl-2,3-dimethylanilino)-N-cycloheptylacetamide

C19H28N2O2 — CID 113168893

IUPAC2-(N-acetyl-2,3-dimethylanilino)-N-cycloheptylacetamide
SMILESCC(=O)N(CC(=O)NC1CCCCCC1)c1cccc(C)c1C
InChIInChI=1S/C19H28N2O2/c1-14-9-8-12-18(15(14)2)21(16(3)22)13-19(23)20-17-10-6-4-5-7-11-17/h8-9,12,17H,4-7,10-11,13H2,1-3H3,(H,20,23)
InChIKeyQZXFVXSCYJOYLT-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.50
Rot. Bonds4

About 2-(N-acetyl-2,3-dimethylanilino)-N-cycloheptylacetamide

2-(N-acetyl-2,3-dimethylanilino)-N-cycloheptylacetamide (PubChem CID 113168893) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-(N-acetyl-2,3-dimethylanilino)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,3-dimethylanilino)-N-cycloheptylacetamide
PubChem CID113168893
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name2-(N-acetyl-2,3-dimethylanilino)-N-cycloheptylacetamide
SMILESCC(=O)N(CC(=O)NC1CCCCCC1)c1cccc(C)c1C
InChIInChI=1S/C19H28N2O2/c1-14-9-8-12-18(15(14)2)21(16(3)22)13-19(23)20-17-10-6-4-5-7-11-17/h8-9,12,17H,4-7,10-11,13H2,1-3H3,(H,20,23)
InChIKeyQZXFVXSCYJOYLT-UHFFFAOYSA-N
XLogP3.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2,3-dimethylanilino)-N-cyclopropylacetamide
CID 113168819
2-(N-acetyl-2,6-dimethylanilino)-N-cyclohexylacetamide
CID 113168633
N-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 700395
2-(N-acetyl-2-tert-butylanilino)-N-cycloheptylacetamide
CID 113170454
2-(N-acetyl-2-tert-butylanilino)-N-cyclopentylacetamide
CID 113170397
2-(N-acetyl-2,6-difluoroanilino)-N-cycloheptylacetamide
CID 113181443
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide
CID 3179749
2-(N-acetyl-2-phenoxyanilino)-N-cycloheptylacetamide
CID 113179225
2-(N-acetylanilino)-N-cyclopentylacetamide
CID 113167073
2-(N-acetyl-3,4-dimethylanilino)-N-cyclohexylacetamide
CID 113168245
2-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113171709
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide
CID 7390755

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,3-dimethylanilino)-N-cycloheptylacetamide?
The IUPAC name of 2-(N-acetyl-2,3-dimethylanilino)-N-cycloheptylacetamide (CID 113168893) is 2-(N-acetyl-2,3-dimethylanilino)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(N-acetyl-2,3-dimethylanilino)-N-cycloheptylacetamide?
The canonical SMILES for 2-(N-acetyl-2,3-dimethylanilino)-N-cycloheptylacetamide is CC(=O)N(CC(=O)NC1CCCCCC1)c1cccc(C)c1C.
What is the InChIKey of 2-(N-acetyl-2,3-dimethylanilino)-N-cycloheptylacetamide?
The InChIKey is QZXFVXSCYJOYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14-9-8-12-18(15(14)2)21(16(3)22)13-19(23)20-17-10-6-4-5-7-11-17/h8-9,12,17H,4-7,10-11,13H2,1-3H3,(H,20,23).
What are the key properties of 2-(N-acetyl-2,3-dimethylanilino)-N-cycloheptylacetamide?
2-(N-acetyl-2,3-dimethylanilino)-N-cycloheptylacetamide has a molecular weight of 316.44 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,3-dimethylanilino)-N-cycloheptylacetamide is sourced from PubChem (CID 113168893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).