4-amino-N-(2-methoxy-4-methylphenyl)oxane-4-carboxamide

C14H20N2O3 — CID 115294141

IUPAC4-amino-N-(2-methoxy-4-methylphenyl)oxane-4-carboxamide
SMILESCOc1cc(C)ccc1NC(=O)C1(N)CCOCC1
InChIInChI=1S/C14H20N2O3/c1-10-3-4-11(12(9-10)18-2)16-13(17)14(15)5-7-19-8-6-14/h3-4,9H,5-8,15H2,1-2H3,(H,16,17)
InChIKeyGJFIXMMBLYLHRR-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.45
Rot. Bonds3

About 4-amino-N-(2-methoxy-4-methylphenyl)oxane-4-carboxamide

4-amino-N-(2-methoxy-4-methylphenyl)oxane-4-carboxamide (PubChem CID 115294141) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-amino-N-(2-methoxy-4-methylphenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methoxy-4-methylphenyl)oxane-4-carboxamide
PubChem CID115294141
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-amino-N-(2-methoxy-4-methylphenyl)oxane-4-carboxamide
SMILESCOc1cc(C)ccc1NC(=O)C1(N)CCOCC1
InChIInChI=1S/C14H20N2O3/c1-10-3-4-11(12(9-10)18-2)16-13(17)14(15)5-7-19-8-6-14/h3-4,9H,5-8,15H2,1-2H3,(H,16,17)
InChIKeyGJFIXMMBLYLHRR-UHFFFAOYSA-N
XLogP1.45
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-ethoxy-4-methylphenyl)oxane-4-carboxamide
CID 115294126
4-amino-N-(2-chloro-4,5-dimethoxyphenyl)oxane-4-carboxamide
CID 115293932
4-amino-N-(4-methyl-2-nitrophenyl)oxane-4-carboxamide
CID 115293950
1-amino-N-(2,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 65466971
4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)oxane-4-carboxamide
CID 115294122
1-amino-N-(2,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 81167421
4-amino-N-(4-methylphenyl)oxane-4-carboxamide
CID 113280557
1-amino-N-(2-methoxy-4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 115189608
4-amino-N-(4-fluoro-3-methoxyphenyl)oxane-4-carboxamide
CID 114839694
N-(2-methoxy-5-methylphenyl)-4-(4-methylphenyl)oxane-4-carboxamide
CID 75537653
1-amino-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119670578
1-(3-aminooxolan-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116579688

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methoxy-4-methylphenyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(2-methoxy-4-methylphenyl)oxane-4-carboxamide (CID 115294141) is 4-amino-N-(2-methoxy-4-methylphenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methoxy-4-methylphenyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(2-methoxy-4-methylphenyl)oxane-4-carboxamide is COc1cc(C)ccc1NC(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-(2-methoxy-4-methylphenyl)oxane-4-carboxamide?
The InChIKey is GJFIXMMBLYLHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-3-4-11(12(9-10)18-2)16-13(17)14(15)5-7-19-8-6-14/h3-4,9H,5-8,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-(2-methoxy-4-methylphenyl)oxane-4-carboxamide?
4-amino-N-(2-methoxy-4-methylphenyl)oxane-4-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methoxy-4-methylphenyl)oxane-4-carboxamide is sourced from PubChem (CID 115294141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).