(2S)-2-(4-chlorophenyl)-2-[[(1R)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methylacetamide

C26H28Cl2N2O3 — CID 68765806

IUPAC(2S)-2-(4-chlorophenyl)-2-[[(1R)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methylacetamide
SMILESCNC(=O)[C@@H](N[C@H](CCc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1)c1ccc(Cl)cc1
InChIInChI=1S/C26H28Cl2N2O3/c1-29-26(31)25(18-7-12-21(28)13-8-18)30-22(14-6-17-4-10-20(27)11-5-17)19-9-15-23(32-2)24(16-19)33-3/h4-5,7-13,15-16,22,25,30H,6,14H2,1-3H3,(H,29,31)/t22-,25+/m1/s1
InChIKeyGXVXIOMKPYPXBN-RDGATRHJSA-N
MW487.43 g/mol
LogP5.76
Rot. Bonds10

About (2S)-2-(4-chlorophenyl)-2-[[(1R)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methylacetamide

(2S)-2-(4-chlorophenyl)-2-[[(1R)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methylacetamide (PubChem CID 68765806) has the molecular formula C26H28Cl2N2O3 and a molecular weight of 487.43 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-2-[[(1R)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-2-[[(1R)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methylacetamide
PubChem CID68765806
Molecular FormulaC26H28Cl2N2O3
Molecular Weight487.43 g/mol
Exact Mass486.15
IUPAC Name(2S)-2-(4-chlorophenyl)-2-[[(1R)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methylacetamide
SMILESCNC(=O)[C@@H](N[C@H](CCc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1)c1ccc(Cl)cc1
InChIInChI=1S/C26H28Cl2N2O3/c1-29-26(31)25(18-7-12-21(28)13-8-18)30-22(14-6-17-4-10-20(27)11-5-17)19-9-15-23(32-2)24(16-19)33-3/h4-5,7-13,15-16,22,25,30H,6,14H2,1-3H3,(H,29,31)/t22-,25+/m1/s1
InChIKeyGXVXIOMKPYPXBN-RDGATRHJSA-N
XLogP5.76
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.43
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(1R)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide
CID 25095852
2-[[3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide
CID 68764746
(2R)-2-[[(1R)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide
CID 59553549
(2R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide
CID 59553823
2-(4-chlorophenyl)-2-[[(1R)-1-(4-fluoro-3-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methylacetamide
CID 68769486
(2S)-2-(4-chlorophenyl)-2-[[(1S)-1-(4-fluoro-3-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methylacetamide
CID 68769484
(2S)-2-[[(1S)-1-(4-chloro-3-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-(4-chlorophenyl)-N-methylacetamide
CID 68768522
(2R)-2-[[(1S)-1-(4-methoxy-3-propan-2-yloxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 59553671
(2R)-2-[[(1R)-1-(3-methoxy-4-propan-2-yloxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 59553616
(2R)-2-[[(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 59553628
(2R)-2-[[(1R)-1-(4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 68766674
(2R)-2-[[1-(3,4-dimethoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetic acid
CID 59553641

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-2-[[(1R)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methylacetamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-2-[[(1R)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methylacetamide (CID 68765806) is (2S)-2-(4-chlorophenyl)-2-[[(1R)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methylacetamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-2-[[(1R)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methylacetamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-2-[[(1R)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methylacetamide is CNC(=O)[C@@H](N[C@H](CCc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-2-[[(1R)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methylacetamide?
The InChIKey is GXVXIOMKPYPXBN-RDGATRHJSA-N. The full InChI is InChI=1S/C26H28Cl2N2O3/c1-29-26(31)25(18-7-12-21(28)13-8-18)30-22(14-6-17-4-10-20(27)11-5-17)19-9-15-23(32-2)24(16-19)33-3/h4-5,7-13,15-16,22,25,30H,6,14H2,1-3H3,(H,29,31)/t22-,25+/m1/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-2-[[(1R)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methylacetamide?
(2S)-2-(4-chlorophenyl)-2-[[(1R)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methylacetamide has a molecular weight of 487.43 g/mol, XLogP of 5.76, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-2-[[(1R)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methylacetamide is sourced from PubChem (CID 68765806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).