N-benzyl-3-(4-methoxyphenyl)prop-2-ynamide

C17H15NO2 — CID 12660141

IUPACN-benzyl-3-(4-methoxyphenyl)prop-2-ynamide
SMILESCOc1ccc(C#CC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H15NO2/c1-20-16-10-7-14(8-11-16)9-12-17(19)18-13-15-5-3-2-4-6-15/h2-8,10-11H,13H2,1H3,(H,18,19)
InChIKeySFICUEAYADRHRR-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.36
Rot. Bonds3

About N-benzyl-3-(4-methoxyphenyl)prop-2-ynamide

N-benzyl-3-(4-methoxyphenyl)prop-2-ynamide (PubChem CID 12660141) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-benzyl-3-(4-methoxyphenyl)prop-2-ynamide.

Molecular Properties

Compound NameN-benzyl-3-(4-methoxyphenyl)prop-2-ynamide
PubChem CID12660141
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC NameN-benzyl-3-(4-methoxyphenyl)prop-2-ynamide
SMILESCOc1ccc(C#CC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H15NO2/c1-20-16-10-7-14(8-11-16)9-12-17(19)18-13-15-5-3-2-4-6-15/h2-8,10-11H,13H2,1H3,(H,18,19)
InChIKeySFICUEAYADRHRR-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-benzyl-3-(4-methoxyphenoxy)propanamide
CID 974838
N-benzyl-2-(4-methoxyphenyl)propanamide
CID 102432443
(2S)-N-benzyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 8907417
N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320624
N-(benzylcarbamothioyl)-4-methoxybenzamide
CID 920618
3-(4-methoxyphenyl)-1-phenyl(213C)prop-2-yn-1-one
CID 101128988
1-[(4-fluorophenyl)methyl]-3-[3-(4-methoxyphenyl)prop-2-ynyl]urea
CID 90553066
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 6543556
N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41325047
N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 2897100
N-benzyl-2-[(4-methoxyphenyl)methylamino]-2-phenylacetamide
CID 68961679

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-methoxyphenyl)prop-2-ynamide?
The IUPAC name of N-benzyl-3-(4-methoxyphenyl)prop-2-ynamide (CID 12660141) is N-benzyl-3-(4-methoxyphenyl)prop-2-ynamide.
What is the SMILES notation for N-benzyl-3-(4-methoxyphenyl)prop-2-ynamide?
The canonical SMILES for N-benzyl-3-(4-methoxyphenyl)prop-2-ynamide is COc1ccc(C#CC(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-3-(4-methoxyphenyl)prop-2-ynamide?
The InChIKey is SFICUEAYADRHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-20-16-10-7-14(8-11-16)9-12-17(19)18-13-15-5-3-2-4-6-15/h2-8,10-11H,13H2,1H3,(H,18,19).
What are the key properties of N-benzyl-3-(4-methoxyphenyl)prop-2-ynamide?
N-benzyl-3-(4-methoxyphenyl)prop-2-ynamide has a molecular weight of 265.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-methoxyphenyl)prop-2-ynamide is sourced from PubChem (CID 12660141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).