N-(furan-2-ylmethyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C15H21F3N2O3 — CID 110019757

IUPACN-(furan-2-ylmethyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(O)C1CCN(CC(=O)N(Cc2ccco2)CC(F)(F)F)C1
InChIInChI=1S/C15H21F3N2O3/c1-11(21)12-4-5-19(7-12)9-14(22)20(10-15(16,17)18)8-13-3-2-6-23-13/h2-3,6,11-12,21H,4-5,7-10H2,1H3
InChIKeyWKDIXQKBKWMGRU-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.87
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

N-(furan-2-ylmethyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 110019757) has the molecular formula C15H21F3N2O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID110019757
Molecular FormulaC15H21F3N2O3
Molecular Weight334.34 g/mol
Exact Mass334.15
IUPAC NameN-(furan-2-ylmethyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(O)C1CCN(CC(=O)N(Cc2ccco2)CC(F)(F)F)C1
InChIInChI=1S/C15H21F3N2O3/c1-11(21)12-4-5-19(7-12)9-14(22)20(10-15(16,17)18)8-13-3-2-6-23-13/h2-3,6,11-12,21H,4-5,7-10H2,1H3
InChIKeyWKDIXQKBKWMGRU-UHFFFAOYSA-N
XLogP1.87
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 35318239
N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-phenylacetamide
CID 111113787
N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 103657241
3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 62728690
N-(furan-2-ylmethyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 78870345
N-ethyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 115966759
N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)propanamide
CID 78874055
2-[4-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide
CID 55570754
2-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
CID 61328447
2-[[ethyl(furan-2-ylmethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263712
2-[1-(aminomethyl)cyclobutyl]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 81171860
N-(furan-2-ylmethyl)-4-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 63714473

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 110019757) is N-(furan-2-ylmethyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CC(O)C1CCN(CC(=O)N(Cc2ccco2)CC(F)(F)F)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is WKDIXQKBKWMGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O3/c1-11(21)12-4-5-19(7-12)9-14(22)20(10-15(16,17)18)8-13-3-2-6-23-13/h2-3,6,11-12,21H,4-5,7-10H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
N-(furan-2-ylmethyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 334.34 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 110019757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).