2-amino-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride

C13H21ClN2O4 — CID 120992179

IUPAC2-amino-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NCc1ccccc1OCCO.Cl
InChIInChI=1S/C13H20N2O4.ClH/c1-18-9-11(14)13(17)15-8-10-4-2-3-5-12(10)19-7-6-16;/h2-5,11,16H,6-9,14H2,1H3,(H,15,17);1H
InChIKeyLRYCKPDZOPJTMT-UHFFFAOYSA-N
MW304.77 g/mol
LogP0.07
Rot. Bonds8

About 2-amino-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride

2-amino-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride (PubChem CID 120992179) has the molecular formula C13H21ClN2O4 and a molecular weight of 304.77 g/mol. Its IUPAC name is 2-amino-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride
PubChem CID120992179
Molecular FormulaC13H21ClN2O4
Molecular Weight304.77 g/mol
Exact Mass304.12
IUPAC Name2-amino-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NCc1ccccc1OCCO.Cl
InChIInChI=1S/C13H20N2O4.ClH/c1-18-9-11(14)13(17)15-8-10-4-2-3-5-12(10)19-7-6-16;/h2-5,11,16H,6-9,14H2,1H3,(H,15,17);1H
InChIKeyLRYCKPDZOPJTMT-UHFFFAOYSA-N
XLogP0.07
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-3-methoxypropanamide
CID 82738332
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CID 111459245
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CID 120989442
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride (CID 120992179) is 2-amino-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)NCc1ccccc1OCCO.Cl.
What is the InChIKey of 2-amino-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride?
The InChIKey is LRYCKPDZOPJTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4.ClH/c1-18-9-11(14)13(17)15-8-10-4-2-3-5-12(10)19-7-6-16;/h2-5,11,16H,6-9,14H2,1H3,(H,15,17);1H.
What are the key properties of 2-amino-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride has a molecular weight of 304.77 g/mol, XLogP of 0.07, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120992179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).