(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride

C11H17ClN2O2 — CID 119263916

IUPAC(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
SMILESCCOc1ccccc1NC(=O)[C@H](C)N.Cl
InChIInChI=1S/C11H16N2O2.ClH/c1-3-15-10-7-5-4-6-9(10)13-11(14)8(2)12;/h4-8H,3,12H2,1-2H3,(H,13,14);1H/t8-;/m0./s1
InChIKeyJAKSLTLXVGAWSY-QRPNPIFTSA-N
MW244.72 g/mol
LogP1.79
Rot. Bonds4

About (2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride

(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride (PubChem CID 119263916) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
PubChem CID119263916
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
SMILESCCOc1ccccc1NC(=O)[C@H](C)N.Cl
InChIInChI=1S/C11H16N2O2.ClH/c1-3-15-10-7-5-4-6-9(10)13-11(14)8(2)12;/h4-8H,3,12H2,1-2H3,(H,13,14);1H/t8-;/m0./s1
InChIKeyJAKSLTLXVGAWSY-QRPNPIFTSA-N
XLogP1.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-ethoxyphenyl)butanamide
CID 79025438
(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 93360503
(2S)-2-amino-N-[2-(2,2-difluoroethoxy)phenyl]propanamide;hydrochloride
CID 119341255
(2S)-2-amino-N-[2-(3-methoxypropoxy)phenyl]propanamide;hydrochloride
CID 119302241
2-amino-N-(2-ethoxy-4-fluorophenyl)propanamide;hydrochloride
CID 119286702
(2S)-2-amino-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 22691717
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496044
(2R)-N-(2-ethoxyphenyl)-2-(2-methylphenoxy)propanamide
CID 837498
4-amino-N-(2-ethoxyphenyl)-2-methyl-4-sulfanylidenebutanamide
CID 112511009
(2S)-2-amino-N-(2-ethoxyphenyl)-4-methylsulfanylbutanamide
CID 22691913
(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422
N-(2-ethoxyphenyl)-3-methylbutanamide
CID 849236

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride (CID 119263916) is (2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride is CCOc1ccccc1NC(=O)[C@H](C)N.Cl.
What is the InChIKey of (2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride?
The InChIKey is JAKSLTLXVGAWSY-QRPNPIFTSA-N. The full InChI is InChI=1S/C11H16N2O2.ClH/c1-3-15-10-7-5-4-6-9(10)13-11(14)8(2)12;/h4-8H,3,12H2,1-2H3,(H,13,14);1H/t8-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride?
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride has a molecular weight of 244.72 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119263916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).