2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride

C11H17ClN2O2 — CID 119268582

IUPAC2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride
SMILESCC(N)C(=O)NCCOc1ccccc1.Cl
InChIInChI=1S/C11H16N2O2.ClH/c1-9(12)11(14)13-7-8-15-10-5-3-2-4-6-10;/h2-6,9H,7-8,12H2,1H3,(H,13,14);1H
InChIKeyKMKXDUALYPEANE-UHFFFAOYSA-N
MW244.72 g/mol
LogP0.95
Rot. Bonds5

About 2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride

2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride (PubChem CID 119268582) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride
PubChem CID119268582
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride
SMILESCC(N)C(=O)NCCOc1ccccc1.Cl
InChIInChI=1S/C11H16N2O2.ClH/c1-9(12)11(14)13-7-8-15-10-5-3-2-4-6-10;/h2-6,9H,7-8,12H2,1H3,(H,13,14);1H
InChIKeyKMKXDUALYPEANE-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-methoxy-N-(2-phenoxyethyl)propanamide
CID 81089075
2-amino-N-[2-(3-chlorophenoxy)ethyl]propanamide;hydrochloride
CID 119295698
2,3-diamino-N-(2-phenoxyethyl)propanamide
CID 59654100
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide
CID 82679348
2-bromo-N-(2-phenoxyethyl)propanamide
CID 82108617
N-(2-phenoxyethyl)-2-sulfanylpropanamide
CID 107026809
(2R)-2-amino-N-(2-phenoxyethyl)-3-phenylpropanamide
CID 78984684
(2S)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 119296638
(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]propanamide;hydrochloride
CID 119266845
4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride
CID 120559424
(2R)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 119296655
2-(2-ethylphenoxy)-N-(2-phenoxyethyl)propanamide
CID 133239770

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride?
The IUPAC name of 2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride (CID 119268582) is 2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride is CC(N)C(=O)NCCOc1ccccc1.Cl.
What is the InChIKey of 2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride?
The InChIKey is KMKXDUALYPEANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.ClH/c1-9(12)11(14)13-7-8-15-10-5-3-2-4-6-10;/h2-6,9H,7-8,12H2,1H3,(H,13,14);1H.
What are the key properties of 2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride?
2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride has a molecular weight of 244.72 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride is sourced from PubChem (CID 119268582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).