3-cyclopentyl-N-(3-phenylprop-2-ynyl)propanamide

C17H21NO — CID 56807333

IUPAC3-cyclopentyl-N-(3-phenylprop-2-ynyl)propanamide
SMILESO=C(CCC1CCCC1)NCC#Cc1ccccc1
InChIInChI=1S/C17H21NO/c19-17(13-12-16-9-4-5-10-16)18-14-6-11-15-7-2-1-3-8-15/h1-3,7-8,16H,4-5,9-10,12-14H2,(H,18,19)
InChIKeySAFJPXFTKCKHHH-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.12
Rot. Bonds4

About 3-cyclopentyl-N-(3-phenylprop-2-ynyl)propanamide

3-cyclopentyl-N-(3-phenylprop-2-ynyl)propanamide (PubChem CID 56807333) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-cyclopentyl-N-(3-phenylprop-2-ynyl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(3-phenylprop-2-ynyl)propanamide
PubChem CID56807333
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name3-cyclopentyl-N-(3-phenylprop-2-ynyl)propanamide
SMILESO=C(CCC1CCCC1)NCC#Cc1ccccc1
InChIInChI=1S/C17H21NO/c19-17(13-12-16-9-4-5-10-16)18-14-6-11-15-7-2-1-3-8-15/h1-3,7-8,16H,4-5,9-10,12-14H2,(H,18,19)
InChIKeySAFJPXFTKCKHHH-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-acetamidophenyl)prop-2-ynyl]-3-cyclopentylpropanamide
CID 90551532
4-[3-(3-cyclohexylpropanoylamino)prop-1-ynyl]-N,N-dimethylbenzamide
CID 90550004
2-amino-N-(3-phenylprop-2-ynyl)acetamide
CID 112687685
N-[(2-fluorophenyl)methyl]-3-[(3S)-1-(3-phenylprop-2-ynyl)piperidin-3-yl]propanamide
CID 42403686
N-[3-(3-chlorophenyl)prop-2-ynyl]-2-cyclopentylacetamide
CID 90548372
3-cyclopentyl-N-prop-2-ynylpropanamide
CID 60646217
3-cyclopentyl-N-[3-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60802431
3-cyclohexyl-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43391299
N-(2-acetamidophenyl)-3-cyclopentylpropanamide
CID 976246
3-cyclopentyl-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide
CID 110902468
N-(2-chloro-2-phenylethyl)-3-cyclohexylpropanamide
CID 114296062
N-(2-bromo-2-phenylethyl)-3-cyclohexylpropanamide
CID 114308467

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(3-phenylprop-2-ynyl)propanamide?
The IUPAC name of 3-cyclopentyl-N-(3-phenylprop-2-ynyl)propanamide (CID 56807333) is 3-cyclopentyl-N-(3-phenylprop-2-ynyl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(3-phenylprop-2-ynyl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-(3-phenylprop-2-ynyl)propanamide is O=C(CCC1CCCC1)NCC#Cc1ccccc1.
What is the InChIKey of 3-cyclopentyl-N-(3-phenylprop-2-ynyl)propanamide?
The InChIKey is SAFJPXFTKCKHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c19-17(13-12-16-9-4-5-10-16)18-14-6-11-15-7-2-1-3-8-15/h1-3,7-8,16H,4-5,9-10,12-14H2,(H,18,19).
What are the key properties of 3-cyclopentyl-N-(3-phenylprop-2-ynyl)propanamide?
3-cyclopentyl-N-(3-phenylprop-2-ynyl)propanamide has a molecular weight of 255.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(3-phenylprop-2-ynyl)propanamide is sourced from PubChem (CID 56807333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).