3-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]oxolane-3-carboxamide

C14H19FN2O3 — CID 64892125

IUPAC3-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]oxolane-3-carboxamide
SMILESCOc1ccc(F)cc1C(C)NC(=O)C1(N)CCOC1
InChIInChI=1S/C14H19FN2O3/c1-9(11-7-10(15)3-4-12(11)19-2)17-13(18)14(16)5-6-20-8-14/h3-4,7,9H,5-6,8,16H2,1-2H3,(H,17,18)
InChIKeyJUXUZOQFUPIKNA-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.13
Rot. Bonds4

About 3-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]oxolane-3-carboxamide

3-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]oxolane-3-carboxamide (PubChem CID 64892125) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 3-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]oxolane-3-carboxamide
PubChem CID64892125
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name3-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]oxolane-3-carboxamide
SMILESCOc1ccc(F)cc1C(C)NC(=O)C1(N)CCOC1
InChIInChI=1S/C14H19FN2O3/c1-9(11-7-10(15)3-4-12(11)19-2)17-13(18)14(16)5-6-20-8-14/h3-4,7,9H,5-6,8,16H2,1-2H3,(H,17,18)
InChIKeyJUXUZOQFUPIKNA-UHFFFAOYSA-N
XLogP1.13
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(2-fluorophenyl)ethyl]oxolane-3-carboxamide
CID 64891934
3-amino-N-[1-(3-fluorophenyl)ethyl]oxolane-3-carboxamide
CID 64892785
3-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]oxolane-3-carboxamide
CID 64891134
3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide
CID 81380051
2-(1-aminocyclobutyl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide
CID 79853728
3-amino-N-[1-(3,4-difluorophenyl)ethyl]oxolane-3-carboxamide
CID 64892108
3-amino-N-[1-(2,6-difluorophenyl)ethyl]oxolane-3-carboxamide
CID 64892539
1-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119273001
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
CID 115295213
(2R)-2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119292617
4-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115294053
2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787967

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]oxolane-3-carboxamide (CID 64892125) is 3-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]oxolane-3-carboxamide is COc1ccc(F)cc1C(C)NC(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]oxolane-3-carboxamide?
The InChIKey is JUXUZOQFUPIKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-9(11-7-10(15)3-4-12(11)19-2)17-13(18)14(16)5-6-20-8-14/h3-4,7,9H,5-6,8,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]oxolane-3-carboxamide?
3-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]oxolane-3-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 64892125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).