2-amino-N-[2-(2-hydroxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride

C12H19ClN2O3 — CID 120986590

IUPAC2-amino-N-[2-(2-hydroxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NCCc1ccccc1O.Cl
InChIInChI=1S/C12H18N2O3.ClH/c1-17-8-10(13)12(16)14-7-6-9-4-2-3-5-11(9)15;/h2-5,10,15H,6-8,13H2,1H3,(H,14,16);1H
InChIKeyOTSCJTXBVWFXIP-UHFFFAOYSA-N
MW274.75 g/mol
LogP0.45
Rot. Bonds6

About 2-amino-N-[2-(2-hydroxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride

2-amino-N-[2-(2-hydroxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride (PubChem CID 120986590) has the molecular formula C12H19ClN2O3 and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-amino-N-[2-(2-hydroxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(2-hydroxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
PubChem CID120986590
Molecular FormulaC12H19ClN2O3
Molecular Weight274.75 g/mol
Exact Mass274.11
IUPAC Name2-amino-N-[2-(2-hydroxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NCCc1ccccc1O.Cl
InChIInChI=1S/C12H18N2O3.ClH/c1-17-8-10(13)12(16)14-7-6-9-4-2-3-5-11(9)15;/h2-5,10,15H,6-8,13H2,1H3,(H,14,16);1H
InChIKeyOTSCJTXBVWFXIP-UHFFFAOYSA-N
XLogP0.45
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[2-(2-hydroxyphenyl)ethyl]propanamide
CID 120872754
2-(2-hydroxyphenyl)ethyl methyl carbonate
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CID 120989107
2-[2-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]acetic acid
CID 81317772
2-amino-3-methoxy-N-(2-phenoxyethyl)propanamide
CID 81089075
2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride
CID 120985605
3-[2-[(2-amino-3-methoxypropanoyl)amino]ethyl]benzoic acid
CID 81088349
2-amino-N-[(2-hydroxyphenyl)methyl]-5-methoxypentanamide
CID 114332295
2-amino-3-methoxy-N-[2-(4-nitrophenyl)ethyl]propanamide;hydrochloride
CID 120987128
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide
CID 81088412
2-amino-3-methoxy-N-(2-phenylpropyl)propanamide
CID 81089279
2-amino-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]pentanamide
CID 106260897

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-hydroxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(2-hydroxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride (CID 120986590) is 2-amino-N-[2-(2-hydroxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(2-hydroxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(2-hydroxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)NCCc1ccccc1O.Cl.
What is the InChIKey of 2-amino-N-[2-(2-hydroxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride?
The InChIKey is OTSCJTXBVWFXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3.ClH/c1-17-8-10(13)12(16)14-7-6-9-4-2-3-5-11(9)15;/h2-5,10,15H,6-8,13H2,1H3,(H,14,16);1H.
What are the key properties of 2-amino-N-[2-(2-hydroxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[2-(2-hydroxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride has a molecular weight of 274.75 g/mol, XLogP of 0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-hydroxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120986590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).