N-(2-aminophenyl)-2-propoxyacetamide;hydrochloride

C11H17ClN2O2 — CID 119422200

IUPACN-(2-aminophenyl)-2-propoxyacetamide;hydrochloride
SMILESCCCOCC(=O)Nc1ccccc1N.Cl
InChIInChI=1S/C11H16N2O2.ClH/c1-2-7-15-8-11(14)13-10-6-4-3-5-9(10)12;/h3-6H,2,7-8,12H2,1H3,(H,13,14);1H
InChIKeySDYPANRFESEGBE-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.06
Rot. Bonds5

About N-(2-aminophenyl)-2-propoxyacetamide;hydrochloride

N-(2-aminophenyl)-2-propoxyacetamide;hydrochloride (PubChem CID 119422200) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-propoxyacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-propoxyacetamide;hydrochloride
PubChem CID119422200
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC NameN-(2-aminophenyl)-2-propoxyacetamide;hydrochloride
SMILESCCCOCC(=O)Nc1ccccc1N.Cl
InChIInChI=1S/C11H16N2O2.ClH/c1-2-7-15-8-11(14)13-10-6-4-3-5-9(10)12;/h3-6H,2,7-8,12H2,1H3,(H,13,14);1H
InChIKeySDYPANRFESEGBE-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-pyridinyl)-2-propoxyacetamide
CID 107937504
N-(2-carbamothioylphenyl)-2-(2-propoxyethoxy)acetamide
CID 63685097
2-(2-methoxyethoxy)-N-(2-propoxyphenyl)acetamide
CID 103606695
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propoxyacetamide
CID 107940414
N-(2-aminophenyl)-2-(2-pyridin-2-ylethoxy)acetamide
CID 29006236
N-(2-aminophenyl)-2-(4-ethoxyphenoxy)acetamide
CID 16782338
N-(5-hydroxynaphthalen-1-yl)-2-propoxyacetamide
CID 107941689
N-(2-aminophenyl)-2-bromoacetamide
CID 89401895
N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032
2-hydroxy-3-[(2-propoxyacetyl)amino]benzoic acid
CID 114018262
N-(2-amino-5-chlorophenyl)-2-pentoxyacetamide
CID 43274990
N-(2-aminophenyl)octadecanamide
CID 68839220

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-propoxyacetamide;hydrochloride?
The IUPAC name of N-(2-aminophenyl)-2-propoxyacetamide;hydrochloride (CID 119422200) is N-(2-aminophenyl)-2-propoxyacetamide;hydrochloride.
What is the SMILES notation for N-(2-aminophenyl)-2-propoxyacetamide;hydrochloride?
The canonical SMILES for N-(2-aminophenyl)-2-propoxyacetamide;hydrochloride is CCCOCC(=O)Nc1ccccc1N.Cl.
What is the InChIKey of N-(2-aminophenyl)-2-propoxyacetamide;hydrochloride?
The InChIKey is SDYPANRFESEGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.ClH/c1-2-7-15-8-11(14)13-10-6-4-3-5-9(10)12;/h3-6H,2,7-8,12H2,1H3,(H,13,14);1H.
What are the key properties of N-(2-aminophenyl)-2-propoxyacetamide;hydrochloride?
N-(2-aminophenyl)-2-propoxyacetamide;hydrochloride has a molecular weight of 244.72 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-propoxyacetamide;hydrochloride is sourced from PubChem (CID 119422200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).