(2S)-2-amino-3-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide

C20H26N2O4 — CID 119303471

IUPAC(2S)-2-amino-3-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)[C@@H](N)Cc2ccccc2)c(OC)c1OC
InChIInChI=1S/C20H26N2O4/c1-24-17-10-9-15(18(25-2)19(17)26-3)11-12-22-20(23)16(21)13-14-7-5-4-6-8-14/h4-10,16H,11-13,21H2,1-3H3,(H,22,23)/t16-/m0/s1
InChIKeyGEWFZCPTGKQWBD-INIZCTEOSA-N
MW358.44 g/mol
LogP1.94
Rot. Bonds9

About (2S)-2-amino-3-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide

(2S)-2-amino-3-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide (PubChem CID 119303471) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is (2S)-2-amino-3-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide
PubChem CID119303471
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name(2S)-2-amino-3-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)[C@@H](N)Cc2ccccc2)c(OC)c1OC
InChIInChI=1S/C20H26N2O4/c1-24-17-10-9-15(18(25-2)19(17)26-3)11-12-22-20(23)16(21)13-14-7-5-4-6-8-14/h4-10,16H,11-13,21H2,1-3H3,(H,22,23)/t16-/m0/s1
InChIKeyGEWFZCPTGKQWBD-INIZCTEOSA-N
XLogP1.94
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 22691311
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2S)-2-amino-3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119272311
(2S)-2-amino-N-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119306736
2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328
3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 46587581
N-benzyl-3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide
CID 51129427
2-benzyl-1-ethyl-3-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
CID 110952276
2-amino-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 60904033
(2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 70832630
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119326873
methyl 2-[(2-amino-3-phenylpropanoyl)amino]acetate;hydrochloride
CID 70536433

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-amino-3-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide (CID 119303471) is (2S)-2-amino-3-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)[C@@H](N)Cc2ccccc2)c(OC)c1OC.
What is the InChIKey of (2S)-2-amino-3-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide?
The InChIKey is GEWFZCPTGKQWBD-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-24-17-10-9-15(18(25-2)19(17)26-3)11-12-22-20(23)16(21)13-14-7-5-4-6-8-14/h4-10,16H,11-13,21H2,1-3H3,(H,22,23)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-3-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide?
(2S)-2-amino-3-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide has a molecular weight of 358.44 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 119303471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).