(4S)-4-(dimethylamino)-2,2-diphenyl-1-(3,4,5-trimethoxyphenyl)pentan-1-one

C28H33NO4 — CID 154665977

IUPAC(4S)-4-(dimethylamino)-2,2-diphenyl-1-(3,4,5-trimethoxyphenyl)pentan-1-one
SMILESCOc1cc(C(=O)C(C[C@H](C)N(C)C)(c2ccccc2)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C28H33NO4/c1-20(29(2)3)19-28(22-13-9-7-10-14-22,23-15-11-8-12-16-23)27(30)21-17-24(31-4)26(33-6)25(18-21)32-5/h7-18,20H,19H2,1-6H3/t20-/m0/s1
InChIKeyWYODOIVTOXDJJT-FQEVSTJZSA-N
MW447.58 g/mol
LogP5.22
Rot. Bonds10

About (4S)-4-(dimethylamino)-2,2-diphenyl-1-(3,4,5-trimethoxyphenyl)pentan-1-one

(4S)-4-(dimethylamino)-2,2-diphenyl-1-(3,4,5-trimethoxyphenyl)pentan-1-one (PubChem CID 154665977) has the molecular formula C28H33NO4 and a molecular weight of 447.58 g/mol. Its IUPAC name is (4S)-4-(dimethylamino)-2,2-diphenyl-1-(3,4,5-trimethoxyphenyl)pentan-1-one.

Molecular Properties

Compound Name(4S)-4-(dimethylamino)-2,2-diphenyl-1-(3,4,5-trimethoxyphenyl)pentan-1-one
PubChem CID154665977
Molecular FormulaC28H33NO4
Molecular Weight447.58 g/mol
Exact Mass447.24
IUPAC Name(4S)-4-(dimethylamino)-2,2-diphenyl-1-(3,4,5-trimethoxyphenyl)pentan-1-one
SMILESCOc1cc(C(=O)C(C[C@H](C)N(C)C)(c2ccccc2)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C28H33NO4/c1-20(29(2)3)19-28(22-13-9-7-10-14-22,23-15-11-8-12-16-23)27(30)21-17-24(31-4)26(33-6)25(18-21)32-5/h7-18,20H,19H2,1-6H3/t20-/m0/s1
InChIKeyWYODOIVTOXDJJT-FQEVSTJZSA-N
XLogP5.22
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S)-4-(dimethylamino)-2,2-diphenyl-1-(3,4,5-trimethoxyphenyl)pentan-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

(4S)-4-(dimethylamino)-1-(4-ethylphenyl)-2,2-diphenylpentan-1-one
CID 154665815
(4S)-4-(dimethylamino)-2,2-diphenyl-1-[3-(pyrrolidin-1-ylmethyl)phenyl]pentan-1-one
CID 154665798
4-(dimethylamino)-2,2-diphenyl-N-propan-2-ylpentanamide;hydrochloride
CID 3032186
(E)-6-(dimethylamino)-3-ethyl-4,4-diphenylhept-2-enoic acid
CID 70524409
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
2-amino-N-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 120593249
N,N-bis[(2S)-butan-2-yl]-3,4,5-trimethoxybenzamide
CID 40584793
2-hydroxy-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 139609935
(2S)-N,N-dibenzyl-2-methyl-3-oxo-3-(3,4,5-trimethoxyphenyl)propanamide
CID 986606
[2-[chloromethoxycarbonyl(methyl)amino]-2-phenylbutyl] 3,4,5-trimethoxybenzoate
CID 76619034
4-(dimethylamino)-1-[2-(morpholin-4-ylmethyl)phenyl]-2,2-diphenylpentan-1-one
CID 155041263
[(2R)-2-(methylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate;hydrochloride
CID 175674676

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(dimethylamino)-2,2-diphenyl-1-(3,4,5-trimethoxyphenyl)pentan-1-one?
The IUPAC name of (4S)-4-(dimethylamino)-2,2-diphenyl-1-(3,4,5-trimethoxyphenyl)pentan-1-one (CID 154665977) is (4S)-4-(dimethylamino)-2,2-diphenyl-1-(3,4,5-trimethoxyphenyl)pentan-1-one.
What is the SMILES notation for (4S)-4-(dimethylamino)-2,2-diphenyl-1-(3,4,5-trimethoxyphenyl)pentan-1-one?
The canonical SMILES for (4S)-4-(dimethylamino)-2,2-diphenyl-1-(3,4,5-trimethoxyphenyl)pentan-1-one is COc1cc(C(=O)C(C[C@H](C)N(C)C)(c2ccccc2)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of (4S)-4-(dimethylamino)-2,2-diphenyl-1-(3,4,5-trimethoxyphenyl)pentan-1-one?
The InChIKey is WYODOIVTOXDJJT-FQEVSTJZSA-N. The full InChI is InChI=1S/C28H33NO4/c1-20(29(2)3)19-28(22-13-9-7-10-14-22,23-15-11-8-12-16-23)27(30)21-17-24(31-4)26(33-6)25(18-21)32-5/h7-18,20H,19H2,1-6H3/t20-/m0/s1.
What are the key properties of (4S)-4-(dimethylamino)-2,2-diphenyl-1-(3,4,5-trimethoxyphenyl)pentan-1-one?
(4S)-4-(dimethylamino)-2,2-diphenyl-1-(3,4,5-trimethoxyphenyl)pentan-1-one has a molecular weight of 447.58 g/mol, XLogP of 5.22, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(dimethylamino)-2,2-diphenyl-1-(3,4,5-trimethoxyphenyl)pentan-1-one is sourced from PubChem (CID 154665977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).