4-(ethylamino)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide

C15H21FN2O2 — CID 66258659

IUPAC4-(ethylamino)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C15H21FN2O2/c1-3-17-14-10-20-9-13(14)15(19)18(2)8-11-5-4-6-12(16)7-11/h4-7,13-14,17H,3,8-10H2,1-2H3
InChIKeyVGGUCFYEWUBZIZ-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.41
Rot. Bonds5

About 4-(ethylamino)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide

4-(ethylamino)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide (PubChem CID 66258659) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 4-(ethylamino)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide
PubChem CID66258659
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name4-(ethylamino)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C15H21FN2O2/c1-3-17-14-10-20-9-13(14)15(19)18(2)8-11-5-4-6-12(16)7-11/h4-7,13-14,17H,3,8-10H2,1-2H3
InChIKeyVGGUCFYEWUBZIZ-UHFFFAOYSA-N
XLogP1.41
TPSA41.57 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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide
CID 66257909
4-(ethylamino)-N-[(4-ethylphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 66259629
N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide
CID 66258296
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 66265812
N-[(5-bromothiophen-3-yl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide
CID 66258717
N-[(3-methoxyphenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66265607
N-[(2-fluorophenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide
CID 66256505
N-[(2,4-difluorophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266798
4-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide
CID 66258931
(3R)-N-[(3-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9094456
N-ethyl-4-(ethylamino)-N-(2-fluorophenyl)oxolane-3-carboxamide
CID 66257551
N-(3,5-dimethylphenyl)-4-(ethylamino)-N-methyloxolane-3-carboxamide
CID 66260067

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide (CID 66258659) is 4-(ethylamino)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide is CCNC1COCC1C(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of 4-(ethylamino)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide?
The InChIKey is VGGUCFYEWUBZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-3-17-14-10-20-9-13(14)15(19)18(2)8-11-5-4-6-12(16)7-11/h4-7,13-14,17H,3,8-10H2,1-2H3.
What are the key properties of 4-(ethylamino)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide?
4-(ethylamino)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide has a molecular weight of 280.34 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 66258659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).