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

C27H32N2O3 — CID 59553823

IUPAC(2R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@H](N[C@H](CCc1ccc(C)cc1)c1ccc(OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C27H32N2O3/c1-19-10-12-20(13-11-19)14-16-23(22-15-17-24(31-3)25(18-22)32-4)29-26(27(30)28-2)21-8-6-5-7-9-21/h5-13,15,17-18,23,26,29H,14,16H2,1-4H3,(H,28,30)/t23-,26-/m1/s1
InChIKeyBNVHWIAFMRFKQU-ZEQKJWHPSA-N
MW432.56 g/mol
LogP4.76
Rot. Bonds10

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

(2R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide (PubChem CID 59553823) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is (2R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide
PubChem CID59553823
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Name(2R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@H](N[C@H](CCc1ccc(C)cc1)c1ccc(OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C27H32N2O3/c1-19-10-12-20(13-11-19)14-16-23(22-15-17-24(31-3)25(18-22)32-4)29-26(27(30)28-2)21-8-6-5-7-9-21/h5-13,15,17-18,23,26,29H,14,16H2,1-4H3,(H,28,30)/t23-,26-/m1/s1
InChIKeyBNVHWIAFMRFKQU-ZEQKJWHPSA-N
XLogP4.76
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 54.76
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
(2S)-2-(4-chlorophenyl)-2-[[(1R)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methylacetamide
CID 68765806
(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-[[1-(3,4-dimethoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetic acid
CID 59553641
(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
2-[[(1S)-1-[4-fluoro-3-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-(4-methylphenyl)acetamide
CID 87565720
(2R)-2-[[(1S)-1-[3-(difluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-(4-methylphenyl)acetamide;N-methyl-2-phenylacetamide
CID 69089990
(2S)-2-[[(1S)-3-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 59553610

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide?
The IUPAC name of (2R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide (CID 59553823) is (2R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide is CNC(=O)[C@H](N[C@H](CCc1ccc(C)cc1)c1ccc(OC)c(OC)c1)c1ccccc1.
What is the InChIKey of (2R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide?
The InChIKey is BNVHWIAFMRFKQU-ZEQKJWHPSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-19-10-12-20(13-11-19)14-16-23(22-15-17-24(31-3)25(18-22)32-4)29-26(27(30)28-2)21-8-6-5-7-9-21/h5-13,15,17-18,23,26,29H,14,16H2,1-4H3,(H,28,30)/t23-,26-/m1/s1.
What are the key properties of (2R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide?
(2R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide has a molecular weight of 432.56 g/mol, XLogP of 4.76, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 59553823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).