(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride

C13H21ClN2O3 — CID 119279764

IUPAC(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride
SMILESCOc1ccc(OC)c(CCNC(=O)[C@H](C)N)c1.Cl
InChIInChI=1S/C13H20N2O3.ClH/c1-9(14)13(16)15-7-6-10-8-11(17-2)4-5-12(10)18-3;/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16);1H/t9-;/m0./s1
InChIKeyHSEBTSWRXXHEDS-FVGYRXGTSA-N
MW288.78 g/mol
LogP1.13
Rot. Bonds6

About (2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride

(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride (PubChem CID 119279764) has the molecular formula C13H21ClN2O3 and a molecular weight of 288.78 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride
PubChem CID119279764
Molecular FormulaC13H21ClN2O3
Molecular Weight288.78 g/mol
Exact Mass288.12
IUPAC Name(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride
SMILESCOc1ccc(OC)c(CCNC(=O)[C@H](C)N)c1.Cl
InChIInChI=1S/C13H20N2O3.ClH/c1-9(14)13(16)15-7-6-10-8-11(17-2)4-5-12(10)18-3;/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16);1H/t9-;/m0./s1
InChIKeyHSEBTSWRXXHEDS-FVGYRXGTSA-N
XLogP1.13
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019
3-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119705610
2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 120667021
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 22691311
(2R)-2-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119320832
N-[2-(2,5-dimethoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 22742653
1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119705593
1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119279781
4-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide
CID 120587964
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]propanamide;hydrochloride
CID 119287235
(2R)-2-amino-4-(2,5-dimethoxyphenyl)butanoic acid
CID 68733160

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride (CID 119279764) is (2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride is COc1ccc(OC)c(CCNC(=O)[C@H](C)N)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride?
The InChIKey is HSEBTSWRXXHEDS-FVGYRXGTSA-N. The full InChI is InChI=1S/C13H20N2O3.ClH/c1-9(14)13(16)15-7-6-10-8-11(17-2)4-5-12(10)18-3;/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16);1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride?
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride has a molecular weight of 288.78 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119279764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).