3-(4-methoxyphenyl)-3-(naphthalen-2-ylamino)-1,2-diphenylpropan-1-one

C32H27NO2 — CID 45257624

IUPAC3-(4-methoxyphenyl)-3-(naphthalen-2-ylamino)-1,2-diphenylpropan-1-one
SMILESCOc1ccc(C(Nc2ccc3ccccc3c2)C(C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H27NO2/c1-35-29-20-17-25(18-21-29)31(33-28-19-16-23-10-8-9-15-27(23)22-28)30(24-11-4-2-5-12-24)32(34)26-13-6-3-7-14-26/h2-22,30-31,33H,1H3
InChIKeyRFIMBIDBWHVSJR-UHFFFAOYSA-N
MW457.57 g/mol
LogP7.67
Rot. Bonds8

About 3-(4-methoxyphenyl)-3-(naphthalen-2-ylamino)-1,2-diphenylpropan-1-one

3-(4-methoxyphenyl)-3-(naphthalen-2-ylamino)-1,2-diphenylpropan-1-one (PubChem CID 45257624) has the molecular formula C32H27NO2 and a molecular weight of 457.57 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-3-(naphthalen-2-ylamino)-1,2-diphenylpropan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-3-(naphthalen-2-ylamino)-1,2-diphenylpropan-1-one
PubChem CID45257624
Molecular FormulaC32H27NO2
Molecular Weight457.57 g/mol
Exact Mass457.20
IUPAC Name3-(4-methoxyphenyl)-3-(naphthalen-2-ylamino)-1,2-diphenylpropan-1-one
SMILESCOc1ccc(C(Nc2ccc3ccccc3c2)C(C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H27NO2/c1-35-29-20-17-25(18-21-29)31(33-28-19-16-23-10-8-9-15-27(23)22-28)30(24-11-4-2-5-12-24)32(34)26-13-6-3-7-14-26/h2-22,30-31,33H,1H3
InChIKeyRFIMBIDBWHVSJR-UHFFFAOYSA-N
XLogP7.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-methoxyphenyl)-3-(naphthalen-2-ylamino)-1,2-diphenylpropan-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

(2R,3S)-N,N-dimethyl-3-(naphthalen-2-ylamino)-2,3-diphenylpropanamide
CID 101028938
2-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylbutane-1,4-dione
CID 122221336
methyl (2S,3R)-2-hydroxy-3-(4-methoxyanilino)-3-phenylpropanoate
CID 102470524
4-[(1S)-1-(4-methoxyanilino)-2-oxo-2-phenylethyl]benzoic acid
CID 175404529
4,5-bis(4-methoxyphenyl)-2-methylidene-5-oxo-3-phenylpentanoic acid
CID 101477479
(1R,2R)-2-(4-methoxyanilino)-1,2-diphenylethanol
CID 102584488
N-[(1S,2S)-3-(4-methoxyphenyl)-3-oxo-1,2-diphenylpropyl]-4-methylbenzenesulfonamide
CID 135056806
2-(4-methoxyphenoxy)-1,2-diphenylethanone
CID 20722156
(2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one
CID 125480635
2-(4-methoxyanilino)-1-(4-methylphenyl)-2-phenylethanol
CID 101146915
ethyl (2S,3R)-3-(4-methoxyanilino)-2-methyl-3-phenylpropanoate
CID 100975098
(1R,2S,3S)-3-(4-methoxyanilino)-2-methyl-1,3-diphenylpropan-1-ol
CID 101373003

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-3-(naphthalen-2-ylamino)-1,2-diphenylpropan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-3-(naphthalen-2-ylamino)-1,2-diphenylpropan-1-one (CID 45257624) is 3-(4-methoxyphenyl)-3-(naphthalen-2-ylamino)-1,2-diphenylpropan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-3-(naphthalen-2-ylamino)-1,2-diphenylpropan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-3-(naphthalen-2-ylamino)-1,2-diphenylpropan-1-one is COc1ccc(C(Nc2ccc3ccccc3c2)C(C(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-3-(naphthalen-2-ylamino)-1,2-diphenylpropan-1-one?
The InChIKey is RFIMBIDBWHVSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27NO2/c1-35-29-20-17-25(18-21-29)31(33-28-19-16-23-10-8-9-15-27(23)22-28)30(24-11-4-2-5-12-24)32(34)26-13-6-3-7-14-26/h2-22,30-31,33H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-3-(naphthalen-2-ylamino)-1,2-diphenylpropan-1-one?
3-(4-methoxyphenyl)-3-(naphthalen-2-ylamino)-1,2-diphenylpropan-1-one has a molecular weight of 457.57 g/mol, XLogP of 7.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-3-(naphthalen-2-ylamino)-1,2-diphenylpropan-1-one is sourced from PubChem (CID 45257624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).