N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-cyclopentylpropanamide

C18H24N2O — CID 60813037

IUPACN-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-cyclopentylpropanamide
SMILESCc1ccc(NC(=O)CCC2CCCC2)c(C#CCN)c1
InChIInChI=1S/C18H24N2O/c1-14-8-10-17(16(13-14)7-4-12-19)20-18(21)11-9-15-5-2-3-6-15/h8,10,13,15H,2-3,5-6,9,11-12,19H2,1H3,(H,20,21)
InChIKeyMBCUVIBDMTXUKY-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.21
Rot. Bonds4

About N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-cyclopentylpropanamide

N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-cyclopentylpropanamide (PubChem CID 60813037) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-cyclopentylpropanamide
PubChem CID60813037
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-cyclopentylpropanamide
SMILESCc1ccc(NC(=O)CCC2CCCC2)c(C#CCN)c1
InChIInChI=1S/C18H24N2O/c1-14-8-10-17(16(13-14)7-4-12-19)20-18(21)11-9-15-5-2-3-6-15/h8,10,13,15H,2-3,5-6,9,11-12,19H2,1H3,(H,20,21)
InChIKeyMBCUVIBDMTXUKY-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide
CID 60803312
3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]propanamide
CID 82746748
3-cyclopentyl-N-(2-hydroxy-4-methylphenyl)propanamide
CID 7979725
N-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide
CID 131913766
N-(2-bromo-5-methylphenyl)-3-cyclopentylpropanamide
CID 82757064
3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60803095
N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-2,2-dimethylbutanamide
CID 62677312
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-cyclohexylpropanamide
CID 102821250
N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide
CID 60803080
N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 60805013
N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridazine-4-carboxamide
CID 104671857
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]octanamide
CID 82750402

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-cyclopentylpropanamide?
The IUPAC name of N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-cyclopentylpropanamide (CID 60813037) is N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-cyclopentylpropanamide.
What is the SMILES notation for N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-cyclopentylpropanamide?
The canonical SMILES for N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-cyclopentylpropanamide is Cc1ccc(NC(=O)CCC2CCCC2)c(C#CCN)c1.
What is the InChIKey of N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-cyclopentylpropanamide?
The InChIKey is MBCUVIBDMTXUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14-8-10-17(16(13-14)7-4-12-19)20-18(21)11-9-15-5-2-3-6-15/h8,10,13,15H,2-3,5-6,9,11-12,19H2,1H3,(H,20,21).
What are the key properties of N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-cyclopentylpropanamide?
N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-cyclopentylpropanamide has a molecular weight of 284.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-cyclopentylpropanamide is sourced from PubChem (CID 60813037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).