N-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

C18H19F3N2O3 — CID 3221192

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCC(C)(C)NC(=O)CN(C(=O)c1ccco1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H19F3N2O3/c1-17(2,3)22-15(24)11-23(16(25)14-8-5-9-26-14)13-7-4-6-12(10-13)18(19,20)21/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyDFGNYTHLLGWCTM-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.86
Rot. Bonds4

About N-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 3221192) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID3221192
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCC(C)(C)NC(=O)CN(C(=O)c1ccco1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H19F3N2O3/c1-17(2,3)22-15(24)11-23(16(25)14-8-5-9-26-14)13-7-4-6-12(10-13)18(19,20)21/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyDFGNYTHLLGWCTM-UHFFFAOYSA-N
XLogP3.86
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 3221192) is N-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is CC(C)(C)NC(=O)CN(C(=O)c1ccco1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is DFGNYTHLLGWCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c1-17(2,3)22-15(24)11-23(16(25)14-8-5-9-26-14)13-7-4-6-12(10-13)18(19,20)21/h4-10H,11H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 3221192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).