2-(N-acetyl-4-ethylanilino)-N-cycloheptylacetamide

C19H28N2O2 — CID 113169281

IUPAC2-(N-acetyl-4-ethylanilino)-N-cycloheptylacetamide
SMILESCCc1ccc(N(CC(=O)NC2CCCCCC2)C(C)=O)cc1
InChIInChI=1S/C19H28N2O2/c1-3-16-10-12-18(13-11-16)21(15(2)22)14-19(23)20-17-8-6-4-5-7-9-17/h10-13,17H,3-9,14H2,1-2H3,(H,20,23)
InChIKeyJJOLGUXRZUJWTG-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.44
Rot. Bonds5

About 2-(N-acetyl-4-ethylanilino)-N-cycloheptylacetamide

2-(N-acetyl-4-ethylanilino)-N-cycloheptylacetamide (PubChem CID 113169281) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-(N-acetyl-4-ethylanilino)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-ethylanilino)-N-cycloheptylacetamide
PubChem CID113169281
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name2-(N-acetyl-4-ethylanilino)-N-cycloheptylacetamide
SMILESCCc1ccc(N(CC(=O)NC2CCCCCC2)C(C)=O)cc1
InChIInChI=1S/C19H28N2O2/c1-3-16-10-12-18(13-11-16)21(15(2)22)14-19(23)20-17-8-6-4-5-7-9-17/h10-13,17H,3-9,14H2,1-2H3,(H,20,23)
InChIKeyJJOLGUXRZUJWTG-UHFFFAOYSA-N
XLogP3.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetylanilino)-N-cyclopentylacetamide
CID 113167073
2-(N-acetyl-3,4-dimethylanilino)-N-cyclohexylacetamide
CID 113168245
2-(N-acetyl-4-phenylmethoxyanilino)-N-cyclohexylacetamide
CID 113177523
2-[N-acetyl-4-(diethylamino)anilino]-N-cyclopropylacetamide
CID 113176819
2-(N-acetyl-3-chloro-4-methylanilino)-N-cycloheptylacetamide
CID 113172228
N-cyclohexyl-2-(N,3-diacetylanilino)acetamide
CID 113175380
methyl 3-[acetyl-[2-(cycloheptylamino)-2-oxoethyl]amino]benzoate
CID 113176252
N-cycloheptyl-N'-(4-ethylphenyl)propanediamide
CID 108951571
2-[4-[acetyl(methyl)amino]phenyl]-N-cyclohexylacetamide
CID 110674830
2-(N-acetyl-2,6-dimethylanilino)-N-cyclohexylacetamide
CID 113168633
2-(N-acetyl-3-methoxyanilino)-N-cycloheptylacetamide
CID 113173369
2-(N-acetyl-2,6-difluoroanilino)-N-cycloheptylacetamide
CID 113181443

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-ethylanilino)-N-cycloheptylacetamide?
The IUPAC name of 2-(N-acetyl-4-ethylanilino)-N-cycloheptylacetamide (CID 113169281) is 2-(N-acetyl-4-ethylanilino)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(N-acetyl-4-ethylanilino)-N-cycloheptylacetamide?
The canonical SMILES for 2-(N-acetyl-4-ethylanilino)-N-cycloheptylacetamide is CCc1ccc(N(CC(=O)NC2CCCCCC2)C(C)=O)cc1.
What is the InChIKey of 2-(N-acetyl-4-ethylanilino)-N-cycloheptylacetamide?
The InChIKey is JJOLGUXRZUJWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-3-16-10-12-18(13-11-16)21(15(2)22)14-19(23)20-17-8-6-4-5-7-9-17/h10-13,17H,3-9,14H2,1-2H3,(H,20,23).
What are the key properties of 2-(N-acetyl-4-ethylanilino)-N-cycloheptylacetamide?
2-(N-acetyl-4-ethylanilino)-N-cycloheptylacetamide has a molecular weight of 316.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-ethylanilino)-N-cycloheptylacetamide is sourced from PubChem (CID 113169281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).