3-(N-acetyl-2,5-dimethylanilino)-N-cyclopentylpropanamide

C18H26N2O2 — CID 113124295

IUPAC3-(N-acetyl-2,5-dimethylanilino)-N-cyclopentylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CCCC1)c1cc(C)ccc1C
InChIInChI=1S/C18H26N2O2/c1-13-8-9-14(2)17(12-13)20(15(3)21)11-10-18(22)19-16-6-4-5-7-16/h8-9,12,16H,4-7,10-11H2,1-3H3,(H,19,22)
InChIKeyRSCBKJUDFQIJCI-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.11
Rot. Bonds5

About 3-(N-acetyl-2,5-dimethylanilino)-N-cyclopentylpropanamide

3-(N-acetyl-2,5-dimethylanilino)-N-cyclopentylpropanamide (PubChem CID 113124295) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-(N-acetyl-2,5-dimethylanilino)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,5-dimethylanilino)-N-cyclopentylpropanamide
PubChem CID113124295
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-(N-acetyl-2,5-dimethylanilino)-N-cyclopentylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CCCC1)c1cc(C)ccc1C
InChIInChI=1S/C18H26N2O2/c1-13-8-9-14(2)17(12-13)20(15(3)21)11-10-18(22)19-16-6-4-5-7-16/h8-9,12,16H,4-7,10-11H2,1-3H3,(H,19,22)
InChIKeyRSCBKJUDFQIJCI-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

3-(N-acetyl-2,4-difluoroanilino)-N-cyclopentylpropanamide
CID 113133398
3-(N-acetyl-2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113124315
3-(N-acetylanilino)-N-cyclohexylpropanamide
CID 113123341
3-(N-acetyl-2-tert-butylanilino)-N-cycloheptylpropanamide
CID 113126424
3-(N-acetyl-3,5-dichloroanilino)-N-cyclopentylpropanamide
CID 113134055
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-cycloheptylpropanamide
CID 113130347
3-[N-(cyclohexanecarbonyl)-2,5-dimethylanilino]propanoic acid
CID 82321395
3-(N-acetyl-2,5-dimethylanilino)-N-(4-tert-butylphenyl)propanamide
CID 113124393
3-(N-acetyl-3,4-dichloroanilino)-N-cyclohexylpropanamide
CID 113133736
N-cyclohexyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53281968
3-(N-acetyl-2-ethylanilino)-N-cyclopropylpropanamide
CID 113125154
2-(N-acetyl-3,4-dimethylanilino)-N-cyclohexylacetamide
CID 113168245

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,5-dimethylanilino)-N-cyclopentylpropanamide?
The IUPAC name of 3-(N-acetyl-2,5-dimethylanilino)-N-cyclopentylpropanamide (CID 113124295) is 3-(N-acetyl-2,5-dimethylanilino)-N-cyclopentylpropanamide.
What is the SMILES notation for 3-(N-acetyl-2,5-dimethylanilino)-N-cyclopentylpropanamide?
The canonical SMILES for 3-(N-acetyl-2,5-dimethylanilino)-N-cyclopentylpropanamide is CC(=O)N(CCC(=O)NC1CCCC1)c1cc(C)ccc1C.
What is the InChIKey of 3-(N-acetyl-2,5-dimethylanilino)-N-cyclopentylpropanamide?
The InChIKey is RSCBKJUDFQIJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-8-9-14(2)17(12-13)20(15(3)21)11-10-18(22)19-16-6-4-5-7-16/h8-9,12,16H,4-7,10-11H2,1-3H3,(H,19,22).
What are the key properties of 3-(N-acetyl-2,5-dimethylanilino)-N-cyclopentylpropanamide?
3-(N-acetyl-2,5-dimethylanilino)-N-cyclopentylpropanamide has a molecular weight of 302.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,5-dimethylanilino)-N-cyclopentylpropanamide is sourced from PubChem (CID 113124295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).