2-(3-acetamidoanilino)-N-cyclopentylpropanamide

C16H23N3O2 — CID 43083456

IUPAC2-(3-acetamidoanilino)-N-cyclopentylpropanamide
SMILESCC(=O)Nc1cccc(NC(C)C(=O)NC2CCCC2)c1
InChIInChI=1S/C16H23N3O2/c1-11(16(21)19-13-6-3-4-7-13)17-14-8-5-9-15(10-14)18-12(2)20/h5,8-11,13,17H,3-4,6-7H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyVLOKHEDZFFOASX-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.50
Rot. Bonds5

About 2-(3-acetamidoanilino)-N-cyclopentylpropanamide

2-(3-acetamidoanilino)-N-cyclopentylpropanamide (PubChem CID 43083456) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-N-cyclopentylpropanamide
PubChem CID43083456
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-(3-acetamidoanilino)-N-cyclopentylpropanamide
SMILESCC(=O)Nc1cccc(NC(C)C(=O)NC2CCCC2)c1
InChIInChI=1S/C16H23N3O2/c1-11(16(21)19-13-6-3-4-7-13)17-14-8-5-9-15(10-14)18-12(2)20/h5,8-11,13,17H,3-4,6-7H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyVLOKHEDZFFOASX-UHFFFAOYSA-N
XLogP2.50
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-acetamidoanilino)-N-cyclohexylpropanamide
CID 40680935
N-cyclohexyl-2-(3-fluoroanilino)propanamide
CID 43083427
3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]benzamide
CID 103600833
2-(3-acetamidoanilino)-N-propan-2-ylpropanamide
CID 43084802
N-cyclohexyl-2-(3-ethynylanilino)propanamide
CID 43114037
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 2638280
acetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide
CID 174839462
N-cyclopropyl-2-(3-methylsulfanylanilino)propanamide
CID 43085917
N-cyclopropyl-2-(3-methoxyanilino)propanamide
CID 43085846
(2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide
CID 8005833
N-cyclohexyl-2-(3,5-dimethylanilino)propanamide
CID 43083597
1-N'-(3-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
CID 108972266

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-N-cyclopentylpropanamide?
The IUPAC name of 2-(3-acetamidoanilino)-N-cyclopentylpropanamide (CID 43083456) is 2-(3-acetamidoanilino)-N-cyclopentylpropanamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-N-cyclopentylpropanamide?
The canonical SMILES for 2-(3-acetamidoanilino)-N-cyclopentylpropanamide is CC(=O)Nc1cccc(NC(C)C(=O)NC2CCCC2)c1.
What is the InChIKey of 2-(3-acetamidoanilino)-N-cyclopentylpropanamide?
The InChIKey is VLOKHEDZFFOASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(16(21)19-13-6-3-4-7-13)17-14-8-5-9-15(10-14)18-12(2)20/h5,8-11,13,17H,3-4,6-7H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-(3-acetamidoanilino)-N-cyclopentylpropanamide?
2-(3-acetamidoanilino)-N-cyclopentylpropanamide has a molecular weight of 289.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidoanilino)-N-cyclopentylpropanamide is sourced from PubChem (CID 43083456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).