N-(2-aminophenyl)oxane-3-carboxamide;hydrochloride

C12H17ClN2O2 — CID 119422429

IUPACN-(2-aminophenyl)oxane-3-carboxamide;hydrochloride
SMILESCl.Nc1ccccc1NC(=O)C1CCCOC1
InChIInChI=1S/C12H16N2O2.ClH/c13-10-5-1-2-6-11(10)14-12(15)9-4-3-7-16-8-9;/h1-2,5-6,9H,3-4,7-8,13H2,(H,14,15);1H
InChIKeyUYKGEROMGGFPJB-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.06
Rot. Bonds2

About N-(2-aminophenyl)oxane-3-carboxamide;hydrochloride

N-(2-aminophenyl)oxane-3-carboxamide;hydrochloride (PubChem CID 119422429) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is N-(2-aminophenyl)oxane-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminophenyl)oxane-3-carboxamide;hydrochloride
PubChem CID119422429
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC NameN-(2-aminophenyl)oxane-3-carboxamide;hydrochloride
SMILESCl.Nc1ccccc1NC(=O)C1CCCOC1
InChIInChI=1S/C12H16N2O2.ClH/c13-10-5-1-2-6-11(10)14-12(15)9-4-3-7-16-8-9;/h1-2,5-6,9H,3-4,7-8,13H2,(H,14,15);1H
InChIKeyUYKGEROMGGFPJB-UHFFFAOYSA-N
XLogP2.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(N'-hydroxycarbamimidoyl)phenyl]oxane-3-carboxamide
CID 76982116
methyl 2-(oxane-3-carbonylamino)benzoate
CID 55109995
N-(6-amino-1,3-benzodioxol-5-yl)oxane-3-carboxamide;hydrochloride
CID 119618602
N-(2-aminophenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride
CID 119422541
N-(3-aminophenyl)oxane-3-carboxamide
CID 63011823
N-(2-fluoro-4-hydroxyphenyl)oxane-3-carboxamide
CID 64787080
N-(2-bromo-4-chlorophenyl)oxane-3-carboxamide
CID 81028663
N-[2-[1-(propylamino)ethyl]phenyl]oxane-3-carboxamide
CID 63010645
N-(3-amino-4-ethylphenyl)oxane-3-carboxamide
CID 63010461
N-[4-(2-aminoethyl)phenyl]oxane-3-carboxamide
CID 63011148
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
(3R)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]oxolane-3-carboxamide
CID 95272394

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)oxane-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminophenyl)oxane-3-carboxamide;hydrochloride (CID 119422429) is N-(2-aminophenyl)oxane-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminophenyl)oxane-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminophenyl)oxane-3-carboxamide;hydrochloride is Cl.Nc1ccccc1NC(=O)C1CCCOC1.
What is the InChIKey of N-(2-aminophenyl)oxane-3-carboxamide;hydrochloride?
The InChIKey is UYKGEROMGGFPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.ClH/c13-10-5-1-2-6-11(10)14-12(15)9-4-3-7-16-8-9;/h1-2,5-6,9H,3-4,7-8,13H2,(H,14,15);1H.
What are the key properties of N-(2-aminophenyl)oxane-3-carboxamide;hydrochloride?
N-(2-aminophenyl)oxane-3-carboxamide;hydrochloride has a molecular weight of 256.73 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)oxane-3-carboxamide;hydrochloride is sourced from PubChem (CID 119422429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).