(2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpropanamide

C20H26N2O3 — CID 770468

IUPAC(2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpropanamide
SMILESCOc1ccc(CCN(C)C(=O)[C@H](N)Cc2ccccc2)cc1OC
InChIInChI=1S/C20H26N2O3/c1-22(20(23)17(21)13-15-7-5-4-6-8-15)12-11-16-9-10-18(24-2)19(14-16)25-3/h4-10,14,17H,11-13,21H2,1-3H3/t17-/m1/s1
InChIKeyITEOAUOYYATNQG-QGZVFWFLSA-N
MW342.44 g/mol
LogP2.27
Rot. Bonds8

About (2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpropanamide

(2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpropanamide (PubChem CID 770468) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpropanamide
PubChem CID770468
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name(2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpropanamide
SMILESCOc1ccc(CCN(C)C(=O)[C@H](N)Cc2ccccc2)cc1OC
InChIInChI=1S/C20H26N2O3/c1-22(20(23)17(21)13-15-7-5-4-6-8-15)12-11-16-9-10-18(24-2)19(14-16)25-3/h4-10,14,17H,11-13,21H2,1-3H3/t17-/m1/s1
InChIKeyITEOAUOYYATNQG-QGZVFWFLSA-N
XLogP2.27
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-phenylpropanamide
CID 119285861
(2S)-2-amino-N-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119306736
2-amino-N-methyl-3-phenyl-N-propylpropanamide
CID 43271352
methyl 4-[(2-amino-3-phenylpropanoyl)-methylamino]butanoate
CID 60947770
methyl N-[1-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 163728609
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenoxybenzamide
CID 9468502
N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-2-phenyltriazole-4-carboxamide
CID 26739400
2-amino-3-(3,4-dimethoxyphenyl)propanamide
CID 14132751
(2R)-2-amino-N-methyl-3-phenyl-N-(2-thiophen-2-ylethyl)propanamide
CID 79494737
(2R)-2-amino-N-(3-hydroxybutyl)-N-methyl-3-phenylpropanamide
CID 103797277
2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanediamide
CID 60937652
[(1R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxo-1-phenylethyl] 3-hydroxy-3-methyl-2-[methyl(6-phenylhexanoyl)amino]butanoate
CID 53317257

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpropanamide (CID 770468) is (2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpropanamide is COc1ccc(CCN(C)C(=O)[C@H](N)Cc2ccccc2)cc1OC.
What is the InChIKey of (2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpropanamide?
The InChIKey is ITEOAUOYYATNQG-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-22(20(23)17(21)13-15-7-5-4-6-8-15)12-11-16-9-10-18(24-2)19(14-16)25-3/h4-10,14,17H,11-13,21H2,1-3H3/t17-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpropanamide?
(2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpropanamide has a molecular weight of 342.44 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 770468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).