N-(3-amino-4-ethylphenyl)oxane-3-carboxamide

C14H20N2O2 — CID 63010461

IUPACN-(3-amino-4-ethylphenyl)oxane-3-carboxamide
SMILESCCc1ccc(NC(=O)C2CCCOC2)cc1N
InChIInChI=1S/C14H20N2O2/c1-2-10-5-6-12(8-13(10)15)16-14(17)11-4-3-7-18-9-11/h5-6,8,11H,2-4,7,9,15H2,1H3,(H,16,17)
InChIKeyMYAZCZDYACMHHG-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.20
Rot. Bonds3

About N-(3-amino-4-ethylphenyl)oxane-3-carboxamide

N-(3-amino-4-ethylphenyl)oxane-3-carboxamide (PubChem CID 63010461) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(3-amino-4-ethylphenyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-ethylphenyl)oxane-3-carboxamide
PubChem CID63010461
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(3-amino-4-ethylphenyl)oxane-3-carboxamide
SMILESCCc1ccc(NC(=O)C2CCCOC2)cc1N
InChIInChI=1S/C14H20N2O2/c1-2-10-5-6-12(8-13(10)15)16-14(17)11-4-3-7-18-9-11/h5-6,8,11H,2-4,7,9,15H2,1H3,(H,16,17)
InChIKeyMYAZCZDYACMHHG-UHFFFAOYSA-N
XLogP2.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.20
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-aminophenyl)oxane-3-carboxamide
CID 63011823
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]oxane-3-carboxamide
CID 63010280
N-(3-methyl-4-sulfamoylphenyl)oxane-3-carboxamide
CID 63015081
N-[4-(2-aminoethyl)phenyl]oxane-3-carboxamide
CID 63011148
N-(6-bromonaphthalen-2-yl)oxane-3-carboxamide
CID 81004002
N-(3-fluoro-4-hydroxyphenyl)oxane-3-carboxamide
CID 64780687
N-(3-amino-4-ethylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 62057642
N-(3-chloro-4-methoxyphenyl)oxane-3-carboxamide
CID 110859516
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]oxane-3-carboxamide
CID 76982068
N-(4-bromo-3,5-dimethylphenyl)oxane-3-carboxamide
CID 106491147
N-[4-(4-methylpiperidin-1-yl)phenyl]oxane-3-carboxamide
CID 110862273
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]oxane-3-carboxamide
CID 104780879

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-ethylphenyl)oxane-3-carboxamide?
The IUPAC name of N-(3-amino-4-ethylphenyl)oxane-3-carboxamide (CID 63010461) is N-(3-amino-4-ethylphenyl)oxane-3-carboxamide.
What is the SMILES notation for N-(3-amino-4-ethylphenyl)oxane-3-carboxamide?
The canonical SMILES for N-(3-amino-4-ethylphenyl)oxane-3-carboxamide is CCc1ccc(NC(=O)C2CCCOC2)cc1N.
What is the InChIKey of N-(3-amino-4-ethylphenyl)oxane-3-carboxamide?
The InChIKey is MYAZCZDYACMHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-10-5-6-12(8-13(10)15)16-14(17)11-4-3-7-18-9-11/h5-6,8,11H,2-4,7,9,15H2,1H3,(H,16,17).
What are the key properties of N-(3-amino-4-ethylphenyl)oxane-3-carboxamide?
N-(3-amino-4-ethylphenyl)oxane-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-ethylphenyl)oxane-3-carboxamide is sourced from PubChem (CID 63010461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).