1-(4-methoxyphenyl)-3-(N-methylanilino)prop-2-yn-1-one

C17H15NO2 — CID 15350488

IUPAC1-(4-methoxyphenyl)-3-(N-methylanilino)prop-2-yn-1-one
SMILESCOc1ccc(C(=O)C#CN(C)c2ccccc2)cc1
InChIInChI=1S/C17H15NO2/c1-18(15-6-4-3-5-7-15)13-12-17(19)14-8-10-16(20-2)11-9-14/h3-11H,1-2H3
InChIKeyLUXVCBQYGIKCQA-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.98
Rot. Bonds3

About 1-(4-methoxyphenyl)-3-(N-methylanilino)prop-2-yn-1-one

1-(4-methoxyphenyl)-3-(N-methylanilino)prop-2-yn-1-one (PubChem CID 15350488) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(N-methylanilino)prop-2-yn-1-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(N-methylanilino)prop-2-yn-1-one
PubChem CID15350488
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name1-(4-methoxyphenyl)-3-(N-methylanilino)prop-2-yn-1-one
SMILESCOc1ccc(C(=O)C#CN(C)c2ccccc2)cc1
InChIInChI=1S/C17H15NO2/c1-18(15-6-4-3-5-7-15)13-12-17(19)14-8-10-16(20-2)11-9-14/h3-11H,1-2H3
InChIKeyLUXVCBQYGIKCQA-UHFFFAOYSA-N
XLogP2.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-methoxyphenyl)-3-(N-methylanilino)prop-2-yn-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methoxyphenyl)-1-phenyl(213C)prop-2-yn-1-one
CID 101128988
(E)-1-(4-methoxyphenyl)-5-phenylpent-4-en-2-yn-1-one
CID 102363775
5-(4-methoxyphenyl)-N-methyl-5-oxo-N-phenylpentanamide
CID 110298230
4-hydroxy-1-(4-methoxyphenyl)-4-methylpent-2-yn-1-one
CID 12722577
4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483
anisole;methyl 4-methoxybenzoate
CID 158093995
1-(4-methoxyphenyl)-3-methyl-3-phenyl-1-[(Z)-1-phenylprop-1-enyl]urea
CID 102415946
4-methoxy-N'-(4-methoxybenzoyl)-N,N'-dimethylbenzohydrazide
CID 14949074
3-methoxy-1-phenylprop-2-yn-1-one
CID 154279908
N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-(N-methylanilino)benzamide
CID 55880097
4-methoxy-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzamide
CID 1039675
4-[(4-methoxyphenoxy)methyl]-N-methyl-N-phenylbenzamide
CID 122195803

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(N-methylanilino)prop-2-yn-1-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-(N-methylanilino)prop-2-yn-1-one (CID 15350488) is 1-(4-methoxyphenyl)-3-(N-methylanilino)prop-2-yn-1-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(N-methylanilino)prop-2-yn-1-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(N-methylanilino)prop-2-yn-1-one is COc1ccc(C(=O)C#CN(C)c2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(N-methylanilino)prop-2-yn-1-one?
The InChIKey is LUXVCBQYGIKCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-18(15-6-4-3-5-7-15)13-12-17(19)14-8-10-16(20-2)11-9-14/h3-11H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-(N-methylanilino)prop-2-yn-1-one?
1-(4-methoxyphenyl)-3-(N-methylanilino)prop-2-yn-1-one has a molecular weight of 265.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(N-methylanilino)prop-2-yn-1-one is sourced from PubChem (CID 15350488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).