4-(4-methoxyanilino)oxane-4-carboxamide

C13H18N2O3 — CID 54889147

IUPAC4-(4-methoxyanilino)oxane-4-carboxamide
SMILESCOc1ccc(NC2(C(N)=O)CCOCC2)cc1
InChIInChI=1S/C13H18N2O3/c1-17-11-4-2-10(3-5-11)15-13(12(14)16)6-8-18-9-7-13/h2-5,15H,6-9H2,1H3,(H2,14,16)
InChIKeyGGAMNDUIVBJZKD-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.14
Rot. Bonds4

About 4-(4-methoxyanilino)oxane-4-carboxamide

4-(4-methoxyanilino)oxane-4-carboxamide (PubChem CID 54889147) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(4-methoxyanilino)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyanilino)oxane-4-carboxamide
PubChem CID54889147
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-(4-methoxyanilino)oxane-4-carboxamide
SMILESCOc1ccc(NC2(C(N)=O)CCOCC2)cc1
InChIInChI=1S/C13H18N2O3/c1-17-11-4-2-10(3-5-11)15-13(12(14)16)6-8-18-9-7-13/h2-5,15H,6-9H2,1H3,(H2,14,16)
InChIKeyGGAMNDUIVBJZKD-UHFFFAOYSA-N
XLogP1.14
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyanilino)cyclohexane-1-carboxamide
CID 2310511
1-(4-methoxyanilino)cycloheptane-1-carboxamide
CID 54889423
1-(4-methoxyanilino)-3-methylcyclopentane-1-carboxamide
CID 64516643
4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]oxane-4-carboxamide
CID 119119363
3-(4-fluoroanilino)oxolane-3-carboxamide
CID 63335238
methyl 1-(4-methoxyanilino)cyclohexane-1-carboxylate
CID 54890159
1-(4-methoxyanilino)cyclohexane-1-carboxylate
CID 7018136
[4-(4-methoxyanilino)oxepan-4-yl]methanol
CID 65080606
1-(4-methylanilino)cyclobutane-1-carboxamide
CID 61006087
4-[3-chloro-4-(trifluoromethoxy)anilino]oxane-4-carboxamide
CID 171848904
ethyl 4-(4-fluoroanilino)oxane-4-carboxylate
CID 54890141
4-[[[(2R,3R)-3-(4-methoxyphenyl)butan-2-yl]amino]methyl]oxane-4-carboxamide
CID 97230033

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyanilino)oxane-4-carboxamide?
The IUPAC name of 4-(4-methoxyanilino)oxane-4-carboxamide (CID 54889147) is 4-(4-methoxyanilino)oxane-4-carboxamide.
What is the SMILES notation for 4-(4-methoxyanilino)oxane-4-carboxamide?
The canonical SMILES for 4-(4-methoxyanilino)oxane-4-carboxamide is COc1ccc(NC2(C(N)=O)CCOCC2)cc1.
What is the InChIKey of 4-(4-methoxyanilino)oxane-4-carboxamide?
The InChIKey is GGAMNDUIVBJZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-11-4-2-10(3-5-11)15-13(12(14)16)6-8-18-9-7-13/h2-5,15H,6-9H2,1H3,(H2,14,16).
What are the key properties of 4-(4-methoxyanilino)oxane-4-carboxamide?
4-(4-methoxyanilino)oxane-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyanilino)oxane-4-carboxamide is sourced from PubChem (CID 54889147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).