4-amino-N-(4-methylphenyl)oxane-4-carboxamide

C13H18N2O2 — CID 113280557

IUPAC4-amino-N-(4-methylphenyl)oxane-4-carboxamide
SMILESCc1ccc(NC(=O)C2(N)CCOCC2)cc1
InChIInChI=1S/C13H18N2O2/c1-10-2-4-11(5-3-10)15-12(16)13(14)6-8-17-9-7-13/h2-5H,6-9,14H2,1H3,(H,15,16)
InChIKeyGOMCXWATYDRTOJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.44
Rot. Bonds2

About 4-amino-N-(4-methylphenyl)oxane-4-carboxamide

4-amino-N-(4-methylphenyl)oxane-4-carboxamide (PubChem CID 113280557) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-amino-N-(4-methylphenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-methylphenyl)oxane-4-carboxamide
PubChem CID113280557
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-amino-N-(4-methylphenyl)oxane-4-carboxamide
SMILESCc1ccc(NC(=O)C2(N)CCOCC2)cc1
InChIInChI=1S/C13H18N2O2/c1-10-2-4-11(5-3-10)15-12(16)13(14)6-8-17-9-7-13/h2-5H,6-9,14H2,1H3,(H,15,16)
InChIKeyGOMCXWATYDRTOJ-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-bromo-5-methylphenyl)oxane-4-carboxamide
CID 107583475
3-amino-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide
CID 64892532
5-[(4-aminooxane-4-carbonyl)amino]-2-methylbenzoic acid
CID 115294923
4-amino-N-[4-(2-cyanopropan-2-yl)phenyl]oxane-4-carboxamide
CID 115293819
4-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)oxane-4-carboxamide
CID 115293826
3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide
CID 64891886
N-(4-acetamido-3-chlorophenyl)-4-aminooxane-4-carboxamide
CID 115293893
4-amino-N-(2-methoxy-4-methylphenyl)oxane-4-carboxamide
CID 115294141
3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide
CID 64891880
3-amino-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 64893330
4-amino-N-(4-bromo-3-fluorophenyl)oxane-4-carboxamide
CID 113280837
5-[(4-aminooxane-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 115295266

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methylphenyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(4-methylphenyl)oxane-4-carboxamide (CID 113280557) is 4-amino-N-(4-methylphenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(4-methylphenyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(4-methylphenyl)oxane-4-carboxamide is Cc1ccc(NC(=O)C2(N)CCOCC2)cc1.
What is the InChIKey of 4-amino-N-(4-methylphenyl)oxane-4-carboxamide?
The InChIKey is GOMCXWATYDRTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-2-4-11(5-3-10)15-12(16)13(14)6-8-17-9-7-13/h2-5H,6-9,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-(4-methylphenyl)oxane-4-carboxamide?
4-amino-N-(4-methylphenyl)oxane-4-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methylphenyl)oxane-4-carboxamide is sourced from PubChem (CID 113280557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).