N-[(2-fluorophenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide

C16H23FN2O2 — CID 66256505

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)N(C)Cc1ccccc1F
InChIInChI=1S/C16H23FN2O2/c1-3-8-18-15-11-21-10-13(15)16(20)19(2)9-12-6-4-5-7-14(12)17/h4-7,13,15,18H,3,8-11H2,1-2H3
InChIKeyBETZCLZFRCAYKJ-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.80
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide

N-[(2-fluorophenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide (PubChem CID 66256505) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide
PubChem CID66256505
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)N(C)Cc1ccccc1F
InChIInChI=1S/C16H23FN2O2/c1-3-8-18-15-11-21-10-13(15)16(20)19(2)9-12-6-4-5-7-14(12)17/h4-7,13,15,18H,3,8-11H2,1-2H3
InChIKeyBETZCLZFRCAYKJ-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxyphenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide
CID 66254812
N-methyl-4-(propylamino)-N-(pyridin-2-ylmethyl)oxolane-3-carboxamide
CID 66255746
4-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66238951
N-[(2,4-difluorophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266798
N-[(3,4-difluorophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide
CID 66257909
N-(2-methoxyethyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide
CID 66254816
4-(ethylamino)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide
CID 66258659
N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-(propylamino)oxolane-3-carboxamide
CID 106915220
4-(ethylamino)-N-[(4-ethylphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 66259629
N-(3,5-dimethylphenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide
CID 66256169
2-amino-N-[(2-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119682173
N-ethyl-4-(ethylamino)-N-(2-fluorophenyl)oxolane-3-carboxamide
CID 66257551

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide (CID 66256505) is N-[(2-fluorophenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)N(C)Cc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is BETZCLZFRCAYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-3-8-18-15-11-21-10-13(15)16(20)19(2)9-12-6-4-5-7-14(12)17/h4-7,13,15,18H,3,8-11H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide?
N-[(2-fluorophenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 294.37 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66256505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).