N-(3-aminopropyl)-N-(4-fluorophenyl)-2-methyloxolane-3-carboxamide

C15H21FN2O2 — CID 79750448

IUPACN-(3-aminopropyl)-N-(4-fluorophenyl)-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)N(CCCN)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c1-11-14(7-10-20-11)15(19)18(9-2-8-17)13-5-3-12(16)4-6-13/h3-6,11,14H,2,7-10,17H2,1H3
InChIKeyJFTFGBYLBKRUTD-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.93
Rot. Bonds5

About N-(3-aminopropyl)-N-(4-fluorophenyl)-2-methyloxolane-3-carboxamide

N-(3-aminopropyl)-N-(4-fluorophenyl)-2-methyloxolane-3-carboxamide (PubChem CID 79750448) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(4-fluorophenyl)-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(4-fluorophenyl)-2-methyloxolane-3-carboxamide
PubChem CID79750448
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-(3-aminopropyl)-N-(4-fluorophenyl)-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)N(CCCN)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c1-11-14(7-10-20-11)15(19)18(9-2-8-17)13-5-3-12(16)4-6-13/h3-6,11,14H,2,7-10,17H2,1H3
InChIKeyJFTFGBYLBKRUTD-UHFFFAOYSA-N
XLogP1.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide
CID 2927038
N-((1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl)methyl)-3-methylbutanamide
CID 16918644
Ethyl ((1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl)methyl)carbamate
CID 16918781
N-{[(R)-1-(p-fluorophenyl)-5-oxo-3-pyrrolidinyl]methyl}acetamide
CID 40805225
N-(3-acetamido-4-fluorophenyl)oxolane-3-carboxamide
CID 47081601
N-[4-(dimethylamino)-3,5-difluorophenyl]oxolane-3-carboxamide
CID 47444330
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-(oxolan-2-yl)acetamide
CID 71893213
1-(methoxymethyl)-N-{3-[methyl(phenyl)amino]propyl}cyclopropanecarboxamide
CID 74241887
N-[3-(3-fluoroanilino)propyl]-3-methyloxolane-2-carboxamide
CID 75484692
N-[3-(3-fluoroanilino)propyl]-2-methyloxolane-3-carboxamide
CID 75520898
N-{[1-(2-Fluorophenyl)pyrrolidin-3-YL]methyl}-3-hydroxypropanamide
CID 91790346
(3S)-N-[3-(4-methylanilino)-3-oxopropyl]oxolane-3-carboxamide
CID 95213419

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(4-fluorophenyl)-2-methyloxolane-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-(4-fluorophenyl)-2-methyloxolane-3-carboxamide (CID 79750448) is N-(3-aminopropyl)-N-(4-fluorophenyl)-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(4-fluorophenyl)-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-(4-fluorophenyl)-2-methyloxolane-3-carboxamide is CC1OCCC1C(=O)N(CCCN)c1ccc(F)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-(4-fluorophenyl)-2-methyloxolane-3-carboxamide?
The InChIKey is JFTFGBYLBKRUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-11-14(7-10-20-11)15(19)18(9-2-8-17)13-5-3-12(16)4-6-13/h3-6,11,14H,2,7-10,17H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-(4-fluorophenyl)-2-methyloxolane-3-carboxamide?
N-(3-aminopropyl)-N-(4-fluorophenyl)-2-methyloxolane-3-carboxamide has a molecular weight of 280.34 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(4-fluorophenyl)-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 79750448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).