N-[3-methyl-1-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide

C19H21F3N2O3 — CID 4878873

IUPACN-[3-methyl-1-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCC(C)C(NC(=O)c1ccco1)C(=O)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H21F3N2O3/c1-12(2)16(23-17(25)15-5-4-10-27-15)18(26)24(3)11-13-6-8-14(9-7-13)19(20,21)22/h4-10,12,16H,11H2,1-3H3,(H,23,25)
InChIKeyOGQLZBYUGPWQRT-UHFFFAOYSA-N
MW382.38 g/mol
LogP3.71
Rot. Bonds6

About N-[3-methyl-1-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide

N-[3-methyl-1-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 4878873) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is N-[3-methyl-1-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID4878873
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC NameN-[3-methyl-1-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCC(C)C(NC(=O)c1ccco1)C(=O)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H21F3N2O3/c1-12(2)16(23-17(25)15-5-4-10-27-15)18(26)24(3)11-13-6-8-14(9-7-13)19(20,21)22/h4-10,12,16H,11H2,1-3H3,(H,23,25)
InChIKeyOGQLZBYUGPWQRT-UHFFFAOYSA-N
XLogP3.71
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-methyl-1-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-[[4-(dimethylamino)phenyl]methyl-methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 34746254
2-[2-(furan-2-carbonylamino)propanoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetic acid
CID 120517994
N,3-dimethyl-2-(phenylcarbamoylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 55330741
N-[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51147843
N-[2-[[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9162495
N-[(2S)-1-[(4-ethoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 7831628
N-[4-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 26927547
N-[(2S)-1-[(4-ethylphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31234949
N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide
CID 4826998
N-[1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 4884407
N-[1-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 55363692
N-[1-[(4-fluorophenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51195706

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-methyl-1-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide (CID 4878873) is N-[3-methyl-1-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-methyl-1-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-methyl-1-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide is CC(C)C(NC(=O)c1ccco1)C(=O)N(C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-methyl-1-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is OGQLZBYUGPWQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3/c1-12(2)16(23-17(25)15-5-4-10-27-15)18(26)24(3)11-13-6-8-14(9-7-13)19(20,21)22/h4-10,12,16H,11H2,1-3H3,(H,23,25).
What are the key properties of N-[3-methyl-1-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide?
N-[3-methyl-1-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 382.38 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 4878873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).