4-amino-N-(4-ethoxy-3-methoxyphenyl)oxane-4-carboxamide

C15H22N2O4 — CID 115293945

IUPAC4-amino-N-(4-ethoxy-3-methoxyphenyl)oxane-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2(N)CCOCC2)cc1OC
InChIInChI=1S/C15H22N2O4/c1-3-21-12-5-4-11(10-13(12)19-2)17-14(18)15(16)6-8-20-9-7-15/h4-5,10H,3,6-9,16H2,1-2H3,(H,17,18)
InChIKeyCZWRZFGXXVKNAD-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.54
Rot. Bonds5

About 4-amino-N-(4-ethoxy-3-methoxyphenyl)oxane-4-carboxamide

4-amino-N-(4-ethoxy-3-methoxyphenyl)oxane-4-carboxamide (PubChem CID 115293945) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-amino-N-(4-ethoxy-3-methoxyphenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-ethoxy-3-methoxyphenyl)oxane-4-carboxamide
PubChem CID115293945
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-amino-N-(4-ethoxy-3-methoxyphenyl)oxane-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2(N)CCOCC2)cc1OC
InChIInChI=1S/C15H22N2O4/c1-3-21-12-5-4-11(10-13(12)19-2)17-14(18)15(16)6-8-20-9-7-15/h4-5,10H,3,6-9,16H2,1-2H3,(H,17,18)
InChIKeyCZWRZFGXXVKNAD-UHFFFAOYSA-N
XLogP1.54
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(3-ethoxy-4-methoxyphenyl)oxolane-3-carboxamide
CID 64892534
3-amino-N-(3,4-diethoxyphenyl)oxolane-3-carboxamide
CID 64892076
4-amino-N-(4-fluoro-3-methoxyphenyl)oxane-4-carboxamide
CID 114839694
1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119263106
4-amino-N-(2-ethoxy-4-methylphenyl)oxane-4-carboxamide
CID 115294126
1-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 115452599
(1S)-2,2-dichloro-N-(4-ethoxy-3-methoxyphenyl)-1-methylcyclopropane-1-carboxamide
CID 39911745
4-amino-N-(3-methoxyphenyl)oxane-4-carboxamide
CID 115293571
1-amino-N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
CID 119286080
N-(4-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120618116
2-amino-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 43708125
1-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119285029

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-ethoxy-3-methoxyphenyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(4-ethoxy-3-methoxyphenyl)oxane-4-carboxamide (CID 115293945) is 4-amino-N-(4-ethoxy-3-methoxyphenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(4-ethoxy-3-methoxyphenyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(4-ethoxy-3-methoxyphenyl)oxane-4-carboxamide is CCOc1ccc(NC(=O)C2(N)CCOCC2)cc1OC.
What is the InChIKey of 4-amino-N-(4-ethoxy-3-methoxyphenyl)oxane-4-carboxamide?
The InChIKey is CZWRZFGXXVKNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-21-12-5-4-11(10-13(12)19-2)17-14(18)15(16)6-8-20-9-7-15/h4-5,10H,3,6-9,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-(4-ethoxy-3-methoxyphenyl)oxane-4-carboxamide?
4-amino-N-(4-ethoxy-3-methoxyphenyl)oxane-4-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-ethoxy-3-methoxyphenyl)oxane-4-carboxamide is sourced from PubChem (CID 115293945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).