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

C27H32N2O4 — CID 69041447

IUPAC(2R)-2-[[(3S)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@H](NCC[C@@H](c1ccc(OC)cc1)c1ccc(OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C27H32N2O4/c1-28-27(30)26(20-8-6-5-7-9-20)29-17-16-23(19-10-13-22(31-2)14-11-19)21-12-15-24(32-3)25(18-21)33-4/h5-15,18,23,26,29H,16-17H2,1-4H3,(H,28,30)/t23-,26+/m0/s1
InChIKeyPLOVNZSZKMMQCX-JYFHCDHNSA-N
MW448.56 g/mol
LogP4.31
Rot. Bonds11

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

(2R)-2-[[(3S)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide (PubChem CID 69041447) has the molecular formula C27H32N2O4 and a molecular weight of 448.56 g/mol. Its IUPAC name is (2R)-2-[[(3S)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[(3S)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide
PubChem CID69041447
Molecular FormulaC27H32N2O4
Molecular Weight448.56 g/mol
Exact Mass448.24
IUPAC Name(2R)-2-[[(3S)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@H](NCC[C@@H](c1ccc(OC)cc1)c1ccc(OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C27H32N2O4/c1-28-27(30)26(20-8-6-5-7-9-20)29-17-16-23(19-10-13-22(31-2)14-11-19)21-12-15-24(32-3)25(18-21)33-4/h5-15,18,23,26,29H,16-17H2,1-4H3,(H,28,30)/t23-,26+/m0/s1
InChIKeyPLOVNZSZKMMQCX-JYFHCDHNSA-N
XLogP4.31
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[(3R)-3-(3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 69043257
(2R)-2-[[(3S)-3-(3,4-diethoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 69046035
(2R)-2-[[(3S)-3-(2-chloro-3,4-dimethoxyphenyl)-3-(4-chlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide
CID 69044499
(2R)-2-[[(3R)-3-(4-fluoro-3-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 69042231
(2R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide
CID 59553823
(2R)-N-methyl-2-[[(3S)-3-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide;hydrochloride
CID 69041206
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-[[(3R)-3-(3-chloro-4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 69042344
(2S)-2-[[(1R)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide
CID 25095852
2-(4-methoxyphenyl)-N-methyl-2-(methylamino)acetamide
CID 82470540
2-[[2-[1-(4-methoxyphenyl)ethyl-methylamino]acetyl]amino]-N-methyl-2-phenylacetamide
CID 87015978

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3S)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide?
The IUPAC name of (2R)-2-[[(3S)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide (CID 69041447) is (2R)-2-[[(3S)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[(3S)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[(3S)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide is CNC(=O)[C@H](NCC[C@@H](c1ccc(OC)cc1)c1ccc(OC)c(OC)c1)c1ccccc1.
What is the InChIKey of (2R)-2-[[(3S)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide?
The InChIKey is PLOVNZSZKMMQCX-JYFHCDHNSA-N. The full InChI is InChI=1S/C27H32N2O4/c1-28-27(30)26(20-8-6-5-7-9-20)29-17-16-23(19-10-13-22(31-2)14-11-19)21-12-15-24(32-3)25(18-21)33-4/h5-15,18,23,26,29H,16-17H2,1-4H3,(H,28,30)/t23-,26+/m0/s1.
What are the key properties of (2R)-2-[[(3S)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide?
(2R)-2-[[(3S)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide has a molecular weight of 448.56 g/mol, XLogP of 4.31, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3S)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 69041447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).