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

C15H22N2O3 — CID 115294126

IUPAC4-amino-N-(2-ethoxy-4-methylphenyl)oxane-4-carboxamide
SMILESCCOc1cc(C)ccc1NC(=O)C1(N)CCOCC1
InChIInChI=1S/C15H22N2O3/c1-3-20-13-10-11(2)4-5-12(13)17-14(18)15(16)6-8-19-9-7-15/h4-5,10H,3,6-9,16H2,1-2H3,(H,17,18)
InChIKeyMUFFEOBVISDKDV-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.84
Rot. Bonds4

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

4-amino-N-(2-ethoxy-4-methylphenyl)oxane-4-carboxamide (PubChem CID 115294126) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-amino-N-(2-ethoxy-4-methylphenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-ethoxy-4-methylphenyl)oxane-4-carboxamide
PubChem CID115294126
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-amino-N-(2-ethoxy-4-methylphenyl)oxane-4-carboxamide
SMILESCCOc1cc(C)ccc1NC(=O)C1(N)CCOCC1
InChIInChI=1S/C15H22N2O3/c1-3-20-13-10-11(2)4-5-12(13)17-14(18)15(16)6-8-19-9-7-15/h4-5,10H,3,6-9,16H2,1-2H3,(H,17,18)
InChIKeyMUFFEOBVISDKDV-UHFFFAOYSA-N
XLogP1.84
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-methoxy-4-methylphenyl)oxane-4-carboxamide
CID 115294141
4-amino-N-(4-ethoxy-3-methoxyphenyl)oxane-4-carboxamide
CID 115293945
4-amino-N-(4-methyl-2-nitrophenyl)oxane-4-carboxamide
CID 115293950
1-amino-N-(2-ethoxyphenyl)cyclopropane-1-carboxamide
CID 65463762
4-amino-N-(2-ethoxy-3-pyridinyl)oxane-4-carboxamide
CID 115293923
3-amino-N-(3,4-diethoxyphenyl)oxolane-3-carboxamide
CID 64892076
4-amino-N-(4-methylphenyl)oxane-4-carboxamide
CID 113280557
3-amino-N-(3-ethoxy-4-methoxyphenyl)oxolane-3-carboxamide
CID 64892534
4-amino-N-(5-ethyl-2-hydroxyphenyl)oxane-4-carboxamide
CID 115295152
2-[1-(aminomethyl)cyclobutyl]-N-(2-ethoxy-4-methylphenyl)acetamide
CID 81173162
1-amino-N-(5-chloro-2-ethoxyphenyl)cyclopropane-1-carboxamide
CID 65463820
1-amino-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119670578

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethoxy-4-methylphenyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(2-ethoxy-4-methylphenyl)oxane-4-carboxamide (CID 115294126) is 4-amino-N-(2-ethoxy-4-methylphenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(2-ethoxy-4-methylphenyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(2-ethoxy-4-methylphenyl)oxane-4-carboxamide is CCOc1cc(C)ccc1NC(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-(2-ethoxy-4-methylphenyl)oxane-4-carboxamide?
The InChIKey is MUFFEOBVISDKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-20-13-10-11(2)4-5-12(13)17-14(18)15(16)6-8-19-9-7-15/h4-5,10H,3,6-9,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-(2-ethoxy-4-methylphenyl)oxane-4-carboxamide?
4-amino-N-(2-ethoxy-4-methylphenyl)oxane-4-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethoxy-4-methylphenyl)oxane-4-carboxamide is sourced from PubChem (CID 115294126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).