4-(4-aminophenyl)oxane-2-carboxamide

C12H16N2O2 — CID 118979691

IUPAC4-(4-aminophenyl)oxane-2-carboxamide
SMILESNC(=O)C1CC(c2ccc(N)cc2)CCO1
InChIInChI=1S/C12H16N2O2/c13-10-3-1-8(2-4-10)9-5-6-16-11(7-9)12(14)15/h1-4,9,11H,5-7,13H2,(H2,14,15)
InChIKeyBPTACOMACSFRAX-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.02
Rot. Bonds2

About 4-(4-aminophenyl)oxane-2-carboxamide

4-(4-aminophenyl)oxane-2-carboxamide (PubChem CID 118979691) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-(4-aminophenyl)oxane-2-carboxamide.

Molecular Properties

Compound Name4-(4-aminophenyl)oxane-2-carboxamide
PubChem CID118979691
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-(4-aminophenyl)oxane-2-carboxamide
SMILESNC(=O)C1CC(c2ccc(N)cc2)CCO1
InChIInChI=1S/C12H16N2O2/c13-10-3-1-8(2-4-10)9-5-6-16-11(7-9)12(14)15/h1-4,9,11H,5-7,13H2,(H2,14,15)
InChIKeyBPTACOMACSFRAX-UHFFFAOYSA-N
XLogP1.02
TPSA78.34 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 ≤ 51.02
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

Cyclohexyl 2-(4-aminophenyl)-3-fluoropropanoate
CID 20033818
5-(4-Aminophenyl)-2-[(4-fluorophenyl)methoxy]pentanamide
CID 91592075
Ethyl 2-isopropoxy-3-(4-aminophenyl)propionate
CID 9813693
Ethyl 2-ethoxy-3-(4-aminophenyl)propanoate
CID 9878038
Methyl 2-ethoxy-3-(4-aminophenyl)propionate
CID 9964543
Ethyl 4-(4-aminophenyl)pentanoate
CID 12561714
4-(4-Aminophenyl)oxan-2-one
CID 18404562
Ethyl 2-[(4-aminophenyl)methyl]-3-methylbutanoate
CID 18618680
Ethyl 2-[(4-aminophenyl)methyl]butanoate
CID 20201859
Cyclohexyl 2-(4-aminophenyl)propanoate
CID 21294070
Cyclohexyl 2-(4-aminophenyl)pentanoate
CID 21294071
Cyclohexyl 2-(4-aminophenyl)butanoate
CID 21294112

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)oxane-2-carboxamide?
The IUPAC name of 4-(4-aminophenyl)oxane-2-carboxamide (CID 118979691) is 4-(4-aminophenyl)oxane-2-carboxamide.
What is the SMILES notation for 4-(4-aminophenyl)oxane-2-carboxamide?
The canonical SMILES for 4-(4-aminophenyl)oxane-2-carboxamide is NC(=O)C1CC(c2ccc(N)cc2)CCO1.
What is the InChIKey of 4-(4-aminophenyl)oxane-2-carboxamide?
The InChIKey is BPTACOMACSFRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-10-3-1-8(2-4-10)9-5-6-16-11(7-9)12(14)15/h1-4,9,11H,5-7,13H2,(H2,14,15).
What are the key properties of 4-(4-aminophenyl)oxane-2-carboxamide?
4-(4-aminophenyl)oxane-2-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)oxane-2-carboxamide is sourced from PubChem (CID 118979691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).