N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2,2-diphenylacetamide

C25H27NO3 — CID 1325933

IUPACN-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2,2-diphenylacetamide
SMILESCOc1ccc([C@H](C)N(C)C(=O)C(c2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C25H27NO3/c1-18(21-15-16-22(28-3)23(17-21)29-4)26(2)25(27)24(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-18,24H,1-4H3/t18-/m0/s1
InChIKeyCUHKVJHMNQLSMQ-SFHVURJKSA-N
MW389.50 g/mol
LogP5.06
Rot. Bonds7

About N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2,2-diphenylacetamide

N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2,2-diphenylacetamide (PubChem CID 1325933) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2,2-diphenylacetamide
PubChem CID1325933
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC NameN-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2,2-diphenylacetamide
SMILESCOc1ccc([C@H](C)N(C)C(=O)C(c2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C25H27NO3/c1-18(21-15-16-22(28-3)23(17-21)29-4)26(2)25(27)24(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-18,24H,1-4H3/t18-/m0/s1
InChIKeyCUHKVJHMNQLSMQ-SFHVURJKSA-N
XLogP5.06
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2,2-diphenylacetamide 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

(2S)-2-(3,4-dimethoxyphenyl)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbutanamide
CID 11793595
3-[1-(3,4-dimethoxyphenyl)ethyl-methylamino]propanoic acid
CID 2902334
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,2-diphenylacetamide
CID 46440384
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
2,2-bis(3,4-dimethoxyphenyl)-1-phenylethanone
CID 71357609
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825
2-(3,4-dimethoxyphenyl)-N-(1-phenylethyl)propanamide
CID 171372657
N-[(E)-benzylideneamino]-2-(3,4-dimethoxyphenyl)-2-phenylacetamide
CID 20843507
2-(3,4-dimethoxyphenyl)-1-(4,5-dimethoxy-2-phenylphenyl)-2-phenylethanone
CID 101342771
2-(3,4-dimethoxyphenyl)-2-fluoroacetic acid
CID 53441736
N,N-dimethyl-2,2-diphenylacetamide
CID 19693860
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,2-dimethyl-3-phenylpropanamide
CID 110629739

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2,2-diphenylacetamide?
The IUPAC name of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2,2-diphenylacetamide (CID 1325933) is N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2,2-diphenylacetamide.
What is the SMILES notation for N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2,2-diphenylacetamide?
The canonical SMILES for N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2,2-diphenylacetamide is COc1ccc([C@H](C)N(C)C(=O)C(c2ccccc2)c2ccccc2)cc1OC.
What is the InChIKey of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2,2-diphenylacetamide?
The InChIKey is CUHKVJHMNQLSMQ-SFHVURJKSA-N. The full InChI is InChI=1S/C25H27NO3/c1-18(21-15-16-22(28-3)23(17-21)29-4)26(2)25(27)24(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-18,24H,1-4H3/t18-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2,2-diphenylacetamide?
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2,2-diphenylacetamide has a molecular weight of 389.50 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2,2-diphenylacetamide is sourced from PubChem (CID 1325933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).