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

C14H20N2O4 — CID 64892534

IUPAC3-amino-N-(3-ethoxy-4-methoxyphenyl)oxolane-3-carboxamide
SMILESCCOc1cc(NC(=O)C2(N)CCOC2)ccc1OC
InChIInChI=1S/C14H20N2O4/c1-3-20-12-8-10(4-5-11(12)18-2)16-13(17)14(15)6-7-19-9-14/h4-5,8H,3,6-7,9,15H2,1-2H3,(H,16,17)
InChIKeyWKELFEZRQDJKAH-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.15
Rot. Bonds5

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

3-amino-N-(3-ethoxy-4-methoxyphenyl)oxolane-3-carboxamide (PubChem CID 64892534) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-amino-N-(3-ethoxy-4-methoxyphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-ethoxy-4-methoxyphenyl)oxolane-3-carboxamide
PubChem CID64892534
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3-amino-N-(3-ethoxy-4-methoxyphenyl)oxolane-3-carboxamide
SMILESCCOc1cc(NC(=O)C2(N)CCOC2)ccc1OC
InChIInChI=1S/C14H20N2O4/c1-3-20-12-8-10(4-5-11(12)18-2)16-13(17)14(15)6-7-19-9-14/h4-5,8H,3,6-7,9,15H2,1-2H3,(H,16,17)
InChIKeyWKELFEZRQDJKAH-UHFFFAOYSA-N
XLogP1.15
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(3,4-diethoxyphenyl)oxolane-3-carboxamide
CID 64892076
4-amino-N-(4-ethoxy-3-methoxyphenyl)oxane-4-carboxamide
CID 115293945
1-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 115452599
3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide
CID 64891886
4-amino-N-(4-fluoro-3-methoxyphenyl)oxane-4-carboxamide
CID 114839694
1-amino-N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
CID 119286080
2-amino-N-(3-ethoxy-4-methoxyphenyl)acetamide
CID 43712593
3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide
CID 64891525
1-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119717596
1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119263106
3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide
CID 64891125
3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide
CID 64891880

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethoxy-4-methoxyphenyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(3-ethoxy-4-methoxyphenyl)oxolane-3-carboxamide (CID 64892534) is 3-amino-N-(3-ethoxy-4-methoxyphenyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(3-ethoxy-4-methoxyphenyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(3-ethoxy-4-methoxyphenyl)oxolane-3-carboxamide is CCOc1cc(NC(=O)C2(N)CCOC2)ccc1OC.
What is the InChIKey of 3-amino-N-(3-ethoxy-4-methoxyphenyl)oxolane-3-carboxamide?
The InChIKey is WKELFEZRQDJKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-20-12-8-10(4-5-11(12)18-2)16-13(17)14(15)6-7-19-9-14/h4-5,8H,3,6-7,9,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-N-(3-ethoxy-4-methoxyphenyl)oxolane-3-carboxamide?
3-amino-N-(3-ethoxy-4-methoxyphenyl)oxolane-3-carboxamide has a molecular weight of 280.32 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethoxy-4-methoxyphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 64892534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).