2-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride

C12H19ClN2O3 — CID 119286172

IUPAC2-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride
SMILESCCOc1cc(NC(=O)C(C)N)ccc1OC.Cl
InChIInChI=1S/C12H18N2O3.ClH/c1-4-17-11-7-9(5-6-10(11)16-3)14-12(15)8(2)13;/h5-8H,4,13H2,1-3H3,(H,14,15);1H
InChIKeyHSIGLOQPGWANOT-UHFFFAOYSA-N
MW274.75 g/mol
LogP1.80
Rot. Bonds5

About 2-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride

2-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride (PubChem CID 119286172) has the molecular formula C12H19ClN2O3 and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride
PubChem CID119286172
Molecular FormulaC12H19ClN2O3
Molecular Weight274.75 g/mol
Exact Mass274.11
IUPAC Name2-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride
SMILESCCOc1cc(NC(=O)C(C)N)ccc1OC.Cl
InChIInChI=1S/C12H18N2O3.ClH/c1-4-17-11-7-9(5-6-10(11)16-3)14-12(15)8(2)13;/h5-8H,4,13H2,1-3H3,(H,14,15);1H
InChIKeyHSIGLOQPGWANOT-UHFFFAOYSA-N
XLogP1.80
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119286185
(2S)-2-amino-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide
CID 119289355
3-amino-N-(3-ethoxy-4-methoxyphenyl)-2-methylpropanamide
CID 55104746
(2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119286170
(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119688392
2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 54880153
2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-phenylpropanamide
CID 119286174
(2R)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928800
2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide
CID 43346919
(2S)-2-amino-N-(4-bromo-3-methoxyphenyl)propanamide;hydrochloride
CID 119290157
2-amino-N-(3-ethoxy-4-methoxyphenyl)acetamide
CID 43712593
(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide
CID 93268119

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride?
The IUPAC name of 2-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride (CID 119286172) is 2-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride is CCOc1cc(NC(=O)C(C)N)ccc1OC.Cl.
What is the InChIKey of 2-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride?
The InChIKey is HSIGLOQPGWANOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3.ClH/c1-4-17-11-7-9(5-6-10(11)16-3)14-12(15)8(2)13;/h5-8H,4,13H2,1-3H3,(H,14,15);1H.
What are the key properties of 2-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride?
2-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride has a molecular weight of 274.75 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119286172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).