N-(3-amino-4-methoxyphenyl)oxane-2-carboxamide

C13H18N2O3 — CID 62215161

IUPACN-(3-amino-4-methoxyphenyl)oxane-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCCO2)cc1N
InChIInChI=1S/C13H18N2O3/c1-17-11-6-5-9(8-10(11)14)15-13(16)12-4-2-3-7-18-12/h5-6,8,12H,2-4,7,14H2,1H3,(H,15,16)
InChIKeyUWSWCZJSUJXYKQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.78
Rot. Bonds3

About N-(3-amino-4-methoxyphenyl)oxane-2-carboxamide

N-(3-amino-4-methoxyphenyl)oxane-2-carboxamide (PubChem CID 62215161) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)oxane-2-carboxamide
PubChem CID62215161
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-(3-amino-4-methoxyphenyl)oxane-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCCO2)cc1N
InChIInChI=1S/C13H18N2O3/c1-17-11-6-5-9(8-10(11)14)15-13(16)12-4-2-3-7-18-12/h5-6,8,12H,2-4,7,14H2,1H3,(H,15,16)
InChIKeyUWSWCZJSUJXYKQ-UHFFFAOYSA-N
XLogP1.78
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208
N-(3-tert-butyl-4-methoxyphenyl)oxolane-2-carboxamide
CID 110776693
N-(4-methoxy-3-sulfamoylphenyl)oxolane-2-carboxamide
CID 43212401
N-(3-amino-4-methoxyphenyl)-4-ethylmorpholine-2-carboxamide;dihydrochloride
CID 119419896
ethyl N-[2-methoxy-4-(oxolane-2-carbonylamino)phenyl]carbamate
CID 5305676
N-(3-amino-4-methoxyphenyl)-2-(oxan-2-ylmethylsulfanyl)acetamide;hydrochloride
CID 119420081
N-(3-amino-4-methoxyphenyl)-1,1-dioxothiane-2-carboxamide
CID 104517382
N-(3-amino-4-methoxyphenyl)-3-(oxolan-2-yl)propanamide;hydrochloride
CID 119419458
N-(3-fluoro-4-methylphenyl)oxane-2-carboxamide
CID 155941835
(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
(2S)-N-(3,5-dimethoxyphenyl)oxolane-2-carboxamide
CID 9096652
N-(4-methyl-3-sulfamoylphenyl)oxane-2-carboxamide
CID 62213044

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)oxane-2-carboxamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)oxane-2-carboxamide (CID 62215161) is N-(3-amino-4-methoxyphenyl)oxane-2-carboxamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)oxane-2-carboxamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)oxane-2-carboxamide is COc1ccc(NC(=O)C2CCCCO2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)oxane-2-carboxamide?
The InChIKey is UWSWCZJSUJXYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-11-6-5-9(8-10(11)14)15-13(16)12-4-2-3-7-18-12/h5-6,8,12H,2-4,7,14H2,1H3,(H,15,16).
What are the key properties of N-(3-amino-4-methoxyphenyl)oxane-2-carboxamide?
N-(3-amino-4-methoxyphenyl)oxane-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)oxane-2-carboxamide is sourced from PubChem (CID 62215161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).