(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride

C12H19ClN2O2 — CID 119270019

IUPAC(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
SMILESCOc1ccccc1CCNC(=O)[C@@H](C)N.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-9(13)12(15)14-8-7-10-5-3-4-6-11(10)16-2;/h3-6,9H,7-8,13H2,1-2H3,(H,14,15);1H/t9-;/m1./s1
InChIKeyUQVDGRDCUSJERQ-SBSPUUFOSA-N
MW258.75 g/mol
LogP1.12
Rot. Bonds5

About (2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride

(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride (PubChem CID 119270019) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
PubChem CID119270019
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
SMILESCOc1ccccc1CCNC(=O)[C@@H](C)N.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-9(13)12(15)14-8-7-10-5-3-4-6-11(10)16-2;/h3-6,9H,7-8,13H2,1-2H3,(H,14,15);1H/t9-;/m1./s1
InChIKeyUQVDGRDCUSJERQ-SBSPUUFOSA-N
XLogP1.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119279764
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119687194
2-amino-N-[2-(2-methoxyphenyl)ethyl]pentanamide
CID 113228128
2-amino-N-[2-(2-methoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666713
2-bromo-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 106260318
(2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid
CID 113363047
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide
CID 44996012
4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 113266036
(2R)-2-amino-N-[2-(2-hydroxyphenyl)ethyl]propanamide
CID 120872754
5-amino-N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 106260751
2-amino-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]pentanamide
CID 106260897

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride (CID 119270019) is (2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride is COc1ccccc1CCNC(=O)[C@@H](C)N.Cl.
What is the InChIKey of (2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride?
The InChIKey is UQVDGRDCUSJERQ-SBSPUUFOSA-N. The full InChI is InChI=1S/C12H18N2O2.ClH/c1-9(13)12(15)14-8-7-10-5-3-4-6-11(10)16-2;/h3-6,9H,7-8,13H2,1-2H3,(H,14,15);1H/t9-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride?
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119270019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).