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

C11H17ClN2O2 — CID 119263917

IUPAC3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
SMILESCCOc1ccccc1NC(=O)CCN.Cl
InChIInChI=1S/C11H16N2O2.ClH/c1-2-15-10-6-4-3-5-9(10)13-11(14)7-8-12;/h3-6H,2,7-8,12H2,1H3,(H,13,14);1H
InChIKeyPMFKKNOSUYCTGJ-UHFFFAOYSA-N
MW244.72 g/mol
LogP1.79
Rot. Bonds5

About 3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride

3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride (PubChem CID 119263917) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
PubChem CID119263917
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
SMILESCCOc1ccccc1NC(=O)CCN.Cl
InChIInChI=1S/C11H16N2O2.ClH/c1-2-15-10-6-4-3-5-9(10)13-11(14)7-8-12;/h3-6H,2,7-8,12H2,1H3,(H,13,14);1H
InChIKeyPMFKKNOSUYCTGJ-UHFFFAOYSA-N
XLogP1.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

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CID 174193763
CID 174193763
3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride (CID 119263917) is 3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride is CCOc1ccccc1NC(=O)CCN.Cl.
What is the InChIKey of 3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride?
The InChIKey is PMFKKNOSUYCTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.ClH/c1-2-15-10-6-4-3-5-9(10)13-11(14)7-8-12;/h3-6H,2,7-8,12H2,1H3,(H,13,14);1H.
What are the key properties of 3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride?
3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride has a molecular weight of 244.72 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119263917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).