1-[4-(methylamino)phenyl]-3-(3-phenylmethoxyphenyl)prop-2-yn-1-one

C23H19NO2 — CID 142954637

IUPAC1-[4-(methylamino)phenyl]-3-(3-phenylmethoxyphenyl)prop-2-yn-1-one
SMILESCNc1ccc(C(=O)C#Cc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C23H19NO2/c1-24-21-13-11-20(12-14-21)23(25)15-10-18-8-5-9-22(16-18)26-17-19-6-3-2-4-7-19/h2-9,11-14,16,24H,17H2,1H3
InChIKeyUYMGBQNIGVWBBG-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.54
Rot. Bonds5

About 1-[4-(methylamino)phenyl]-3-(3-phenylmethoxyphenyl)prop-2-yn-1-one

1-[4-(methylamino)phenyl]-3-(3-phenylmethoxyphenyl)prop-2-yn-1-one (PubChem CID 142954637) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[4-(methylamino)phenyl]-3-(3-phenylmethoxyphenyl)prop-2-yn-1-one.

Molecular Properties

Compound Name1-[4-(methylamino)phenyl]-3-(3-phenylmethoxyphenyl)prop-2-yn-1-one
PubChem CID142954637
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name1-[4-(methylamino)phenyl]-3-(3-phenylmethoxyphenyl)prop-2-yn-1-one
SMILESCNc1ccc(C(=O)C#Cc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C23H19NO2/c1-24-21-13-11-20(12-14-21)23(25)15-10-18-8-5-9-22(16-18)26-17-19-6-3-2-4-7-19/h2-9,11-14,16,24H,17H2,1H3
InChIKeyUYMGBQNIGVWBBG-UHFFFAOYSA-N
XLogP4.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(cyclohexa-1,5-dien-1-ylmethoxy)phenyl]-1-[4-(methylamino)phenyl]prop-2-yn-1-one
CID 142954626
N-methyl-4-phenylmethoxyaniline;hydrochloride
CID 75481675
3-phenylprop-2-ynyl 3-(3-phenylmethoxyphenyl)prop-2-ynoate
CID 19751558
1-[4-(3-phenylmethoxyanilino)phenyl]ethanone
CID 174285774
trimethyl-[2-(3-phenylmethoxyphenyl)ethynyl]silane
CID 22570241
2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 70190872
4-[[4-(methylamino)phenoxy]methyl]benzamide
CID 54908957
N-methyl-4-phenylmethoxybenzamide
CID 2996745
3-[[4-(methylamino)phenoxy]methyl]benzonitrile
CID 61026564
N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide
CID 2195613
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
N-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide
CID 23733067

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)phenyl]-3-(3-phenylmethoxyphenyl)prop-2-yn-1-one?
The IUPAC name of 1-[4-(methylamino)phenyl]-3-(3-phenylmethoxyphenyl)prop-2-yn-1-one (CID 142954637) is 1-[4-(methylamino)phenyl]-3-(3-phenylmethoxyphenyl)prop-2-yn-1-one.
What is the SMILES notation for 1-[4-(methylamino)phenyl]-3-(3-phenylmethoxyphenyl)prop-2-yn-1-one?
The canonical SMILES for 1-[4-(methylamino)phenyl]-3-(3-phenylmethoxyphenyl)prop-2-yn-1-one is CNc1ccc(C(=O)C#Cc2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of 1-[4-(methylamino)phenyl]-3-(3-phenylmethoxyphenyl)prop-2-yn-1-one?
The InChIKey is UYMGBQNIGVWBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-24-21-13-11-20(12-14-21)23(25)15-10-18-8-5-9-22(16-18)26-17-19-6-3-2-4-7-19/h2-9,11-14,16,24H,17H2,1H3.
What are the key properties of 1-[4-(methylamino)phenyl]-3-(3-phenylmethoxyphenyl)prop-2-yn-1-one?
1-[4-(methylamino)phenyl]-3-(3-phenylmethoxyphenyl)prop-2-yn-1-one has a molecular weight of 341.41 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)phenyl]-3-(3-phenylmethoxyphenyl)prop-2-yn-1-one is sourced from PubChem (CID 142954637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).