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

C13H21ClN2O4 — CID 119287235

IUPAC(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]propanamide;hydrochloride
SMILESCOc1ccc(OC)c(C(O)CNC(=O)[C@H](C)N)c1.Cl
InChIInChI=1S/C13H20N2O4.ClH/c1-8(14)13(17)15-7-11(16)10-6-9(18-2)4-5-12(10)19-3;/h4-6,8,11,16H,7,14H2,1-3H3,(H,15,17);1H/t8-,11?;/m0./s1
InChIKeyXYBIOUHATDDUBX-DTBGRZLTSA-N
MW304.77 g/mol
LogP0.62
Rot. Bonds6

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

(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]propanamide;hydrochloride (PubChem CID 119287235) has the molecular formula C13H21ClN2O4 and a molecular weight of 304.77 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]propanamide;hydrochloride
PubChem CID119287235
Molecular FormulaC13H21ClN2O4
Molecular Weight304.77 g/mol
Exact Mass304.12
IUPAC Name(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]propanamide;hydrochloride
SMILESCOc1ccc(OC)c(C(O)CNC(=O)[C@H](C)N)c1.Cl
InChIInChI=1S/C13H20N2O4.ClH/c1-8(14)13(17)15-7-11(16)10-6-9(18-2)4-5-12(10)19-3;/h4-6,8,11,16H,7,14H2,1-3H3,(H,15,17);1H/t8-,11?;/m0./s1
InChIKeyXYBIOUHATDDUBX-DTBGRZLTSA-N
XLogP0.62
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 139669776
2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;2,3-dihydroxybutanedioic acid
CID 138544619
1-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide
CID 119719575
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 55654201
N-[2-(2,4-dimethoxyphenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 112511023
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119279764
1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-propan-2-ylphenyl)urea
CID 51944364
4-amino-5-chloro-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methoxybenzamide;hydrochloride
CID 119719615
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxamide
CID 119287242
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-propan-2-ylsulfonylbenzamide
CID 55852779
1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea
CID 94179735

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]propanamide;hydrochloride (CID 119287235) is (2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]propanamide;hydrochloride is COc1ccc(OC)c(C(O)CNC(=O)[C@H](C)N)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]propanamide;hydrochloride?
The InChIKey is XYBIOUHATDDUBX-DTBGRZLTSA-N. The full InChI is InChI=1S/C13H20N2O4.ClH/c1-8(14)13(17)15-7-11(16)10-6-9(18-2)4-5-12(10)19-3;/h4-6,8,11,16H,7,14H2,1-3H3,(H,15,17);1H/t8-,11?;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]propanamide;hydrochloride?
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]propanamide;hydrochloride has a molecular weight of 304.77 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]propanamide;hydrochloride is sourced from PubChem (CID 119287235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).