N-[3-[[2-(2,2,2-trifluoroethoxy)propanoylamino]methyl]phenyl]oxolane-2-carboxamide

C17H21F3N2O4 — CID 47898268

IUPACN-[3-[[2-(2,2,2-trifluoroethoxy)propanoylamino]methyl]phenyl]oxolane-2-carboxamide
SMILESCC(OCC(F)(F)F)C(=O)NCc1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C17H21F3N2O4/c1-11(26-10-17(18,19)20)15(23)21-9-12-4-2-5-13(8-12)22-16(24)14-6-3-7-25-14/h2,4-5,8,11,14H,3,6-7,9-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyXRFQSEDETBERIN-UHFFFAOYSA-N
MW374.36 g/mol
LogP2.39
Rot. Bonds7

About N-[3-[[2-(2,2,2-trifluoroethoxy)propanoylamino]methyl]phenyl]oxolane-2-carboxamide

N-[3-[[2-(2,2,2-trifluoroethoxy)propanoylamino]methyl]phenyl]oxolane-2-carboxamide (PubChem CID 47898268) has the molecular formula C17H21F3N2O4 and a molecular weight of 374.36 g/mol. Its IUPAC name is N-[3-[[2-(2,2,2-trifluoroethoxy)propanoylamino]methyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(2,2,2-trifluoroethoxy)propanoylamino]methyl]phenyl]oxolane-2-carboxamide
PubChem CID47898268
Molecular FormulaC17H21F3N2O4
Molecular Weight374.36 g/mol
Exact Mass374.15
IUPAC NameN-[3-[[2-(2,2,2-trifluoroethoxy)propanoylamino]methyl]phenyl]oxolane-2-carboxamide
SMILESCC(OCC(F)(F)F)C(=O)NCc1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C17H21F3N2O4/c1-11(26-10-17(18,19)20)15(23)21-9-12-4-2-5-13(8-12)22-16(24)14-6-3-7-25-14/h2,4-5,8,11,14H,3,6-7,9-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyXRFQSEDETBERIN-UHFFFAOYSA-N
XLogP2.39
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119305205
N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide
CID 43601839
4-[[3-(oxolane-2-carbonylamino)phenyl]methylcarbamoyl]benzoic acid
CID 119182538
N-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 47758963
N-[3-[[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]methyl]phenyl]oxolane-2-carboxamide;hydroiodide
CID 111124506
N-[3-[[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119305197
N-[3-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 110918378
(2R)-1-N-[[3-[[(2R)-oxolane-2-carbonyl]amino]phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
CID 52513638
N-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 60586470
N-[3-[[[N-[(2-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]oxolane-2-carboxamide
CID 111265977
N-[3-[[(2-aminobenzoyl)amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119945005
N-[3-[[[N-[(2-ethylphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydroiodide
CID 111636384

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,2,2-trifluoroethoxy)propanoylamino]methyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[[2-(2,2,2-trifluoroethoxy)propanoylamino]methyl]phenyl]oxolane-2-carboxamide (CID 47898268) is N-[3-[[2-(2,2,2-trifluoroethoxy)propanoylamino]methyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(2,2,2-trifluoroethoxy)propanoylamino]methyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[[2-(2,2,2-trifluoroethoxy)propanoylamino]methyl]phenyl]oxolane-2-carboxamide is CC(OCC(F)(F)F)C(=O)NCc1cccc(NC(=O)C2CCCO2)c1.
What is the InChIKey of N-[3-[[2-(2,2,2-trifluoroethoxy)propanoylamino]methyl]phenyl]oxolane-2-carboxamide?
The InChIKey is XRFQSEDETBERIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O4/c1-11(26-10-17(18,19)20)15(23)21-9-12-4-2-5-13(8-12)22-16(24)14-6-3-7-25-14/h2,4-5,8,11,14H,3,6-7,9-10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[[2-(2,2,2-trifluoroethoxy)propanoylamino]methyl]phenyl]oxolane-2-carboxamide?
N-[3-[[2-(2,2,2-trifluoroethoxy)propanoylamino]methyl]phenyl]oxolane-2-carboxamide has a molecular weight of 374.36 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,2,2-trifluoroethoxy)propanoylamino]methyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 47898268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).