2-[[3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide

C26H29ClN2O3 — CID 68764746

IUPAC2-[[3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)C(NC(CCc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C26H29ClN2O3/c1-28-26(30)25(19-7-5-4-6-8-19)29-22(15-11-18-9-13-21(27)14-10-18)20-12-16-23(31-2)24(17-20)32-3/h4-10,12-14,16-17,22,25,29H,11,15H2,1-3H3,(H,28,30)
InChIKeyKAWSLCMIFQIZLX-UHFFFAOYSA-N
MW452.98 g/mol
LogP5.11
Rot. Bonds10

About 2-[[3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide

2-[[3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide (PubChem CID 68764746) has the molecular formula C26H29ClN2O3 and a molecular weight of 452.98 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[[3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide
PubChem CID68764746
Molecular FormulaC26H29ClN2O3
Molecular Weight452.98 g/mol
Exact Mass452.19
IUPAC Name2-[[3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)C(NC(CCc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C26H29ClN2O3/c1-28-26(30)25(19-7-5-4-6-8-19)29-22(15-11-18-9-13-21(27)14-10-18)20-12-16-23(31-2)24(17-20)32-3/h4-10,12-14,16-17,22,25,29H,11,15H2,1-3H3,(H,28,30)
InChIKeyKAWSLCMIFQIZLX-UHFFFAOYSA-N
XLogP5.11
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.98
LogP ≤ 55.11
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
(2R)-2-[[(1R)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide
CID 59553549
(2S)-2-(4-chlorophenyl)-2-[[(1R)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methylacetamide
CID 68765806
(2R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide
CID 59553823
(2R)-2-[[(1S)-1-(4-methoxy-3-propan-2-yloxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 59553671
(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-(3-methoxy-4-propan-2-yloxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 59553616
(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
(2S)-2-[[(1R)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide
CID 68768293
2-[[(1S)-1-(3-chloro-4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 68767356
(1R)-1-N-[(1S)-1-(3,4-dimethoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]-2-N-methyl-1-phenylprop-2-ene-1,2-diamine
CID 70293357

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide?
The IUPAC name of 2-[[3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide (CID 68764746) is 2-[[3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide.
What is the SMILES notation for 2-[[3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide?
The canonical SMILES for 2-[[3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide is CNC(=O)C(NC(CCc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1)c1ccccc1.
What is the InChIKey of 2-[[3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide?
The InChIKey is KAWSLCMIFQIZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O3/c1-28-26(30)25(19-7-5-4-6-8-19)29-22(15-11-18-9-13-21(27)14-10-18)20-12-16-23(31-2)24(17-20)32-3/h4-10,12-14,16-17,22,25,29H,11,15H2,1-3H3,(H,28,30).
What are the key properties of 2-[[3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide?
2-[[3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide has a molecular weight of 452.98 g/mol, XLogP of 5.11, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 68764746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).