N-(3-aminophenyl)oxane-3-carboxamide

C12H16N2O2 — CID 63011823

IUPACN-(3-aminophenyl)oxane-3-carboxamide
SMILESNc1cccc(NC(=O)C2CCCOC2)c1
InChIInChI=1S/C12H16N2O2/c13-10-4-1-5-11(7-10)14-12(15)9-3-2-6-16-8-9/h1,4-5,7,9H,2-3,6,8,13H2,(H,14,15)
InChIKeyJDLWEYCXTMYJML-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.63
Rot. Bonds2

About N-(3-aminophenyl)oxane-3-carboxamide

N-(3-aminophenyl)oxane-3-carboxamide (PubChem CID 63011823) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(3-aminophenyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)oxane-3-carboxamide
PubChem CID63011823
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(3-aminophenyl)oxane-3-carboxamide
SMILESNc1cccc(NC(=O)C2CCCOC2)c1
InChIInChI=1S/C12H16N2O2/c13-10-4-1-5-11(7-10)14-12(15)9-3-2-6-16-8-9/h1,4-5,7,9H,2-3,6,8,13H2,(H,14,15)
InChIKeyJDLWEYCXTMYJML-UHFFFAOYSA-N
XLogP1.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.63
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-(3-formylphenyl)oxane-3-carboxamide
CID 106912673
(3S)-N-[3-(cyclopentylamino)phenyl]oxane-3-carboxamide
CID 95629895
N-[3-(N'-hydroxycarbamimidoyl)phenyl]oxane-3-carboxamide
CID 76982117
N-(3-amino-4-ethylphenyl)oxane-3-carboxamide
CID 63010461
N-(3-chlorophenyl)oxolane-3-carboxamide
CID 47443169
N-(3-fluoro-4-hydroxyphenyl)oxane-3-carboxamide
CID 64780687
N-(6-bromonaphthalen-2-yl)oxane-3-carboxamide
CID 81004002
N-(2-aminophenyl)oxane-3-carboxamide;hydrochloride
CID 119422429
N-(3-acetylphenyl)oxolane-3-carboxamide
CID 61276696
5-(oxane-3-carbonylamino)benzene-1,3-dicarboxylic acid
CID 62760125
N-(3-methyl-4-sulfamoylphenyl)oxane-3-carboxamide
CID 63015081
N-(4-bromo-3,5-dimethylphenyl)oxane-3-carboxamide
CID 106491147

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)oxane-3-carboxamide?
The IUPAC name of N-(3-aminophenyl)oxane-3-carboxamide (CID 63011823) is N-(3-aminophenyl)oxane-3-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)oxane-3-carboxamide?
The canonical SMILES for N-(3-aminophenyl)oxane-3-carboxamide is Nc1cccc(NC(=O)C2CCCOC2)c1.
What is the InChIKey of N-(3-aminophenyl)oxane-3-carboxamide?
The InChIKey is JDLWEYCXTMYJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-10-4-1-5-11(7-10)14-12(15)9-3-2-6-16-8-9/h1,4-5,7,9H,2-3,6,8,13H2,(H,14,15).
What are the key properties of N-(3-aminophenyl)oxane-3-carboxamide?
N-(3-aminophenyl)oxane-3-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)oxane-3-carboxamide is sourced from PubChem (CID 63011823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).