1-N-ethyl-3-N-methyl-3-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1,3-dicarboxamide

C19H26F3N3O2 — CID 42826004

IUPAC1-N-ethyl-3-N-methyl-3-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1,3-dicarboxamide
SMILESCCNC(=O)N1CC(C(=O)N(C)C(C)C)C(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H26F3N3O2/c1-5-23-18(27)25-10-15(16(11-25)17(26)24(4)12(2)3)13-7-6-8-14(9-13)19(20,21)22/h6-9,12,15-16H,5,10-11H2,1-4H3,(H,23,27)
InChIKeyMCOBEPUNANRZQW-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.32
Rot. Bonds4

About 1-N-ethyl-3-N-methyl-3-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1,3-dicarboxamide

1-N-ethyl-3-N-methyl-3-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1,3-dicarboxamide (PubChem CID 42826004) has the molecular formula C19H26F3N3O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 1-N-ethyl-3-N-methyl-3-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-ethyl-3-N-methyl-3-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1,3-dicarboxamide
PubChem CID42826004
Molecular FormulaC19H26F3N3O2
Molecular Weight385.43 g/mol
Exact Mass385.20
IUPAC Name1-N-ethyl-3-N-methyl-3-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1,3-dicarboxamide
SMILESCCNC(=O)N1CC(C(=O)N(C)C(C)C)C(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H26F3N3O2/c1-5-23-18(27)25-10-15(16(11-25)17(26)24(4)12(2)3)13-7-6-8-14(9-13)19(20,21)22/h6-9,12,15-16H,5,10-11H2,1-4H3,(H,23,27)
InChIKeyMCOBEPUNANRZQW-UHFFFAOYSA-N
XLogP3.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-3-N-methyl-1-N,3-N-di(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1,3-dicarboxamide
CID 93149346
1-(3-chlorobenzoyl)-N-methyl-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42680412
N-methyl-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42825255
1-benzoyl-N-ethyl-N-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42680419
N-(3-methylbutyl)-1-propanoyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42680382
(3S,4R)-N-ethyl-N-methyl-1-(thiophene-2-carbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93149272
(3S,4R)-N-(3-methylbutyl)-1-(2-methylpropanoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93149126
(3R,4S)-1-(3-methylbutanoyl)-N-(3-methylbutyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93149141
1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42680384
(3R,4S)-1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93149155
(3S,4S)-N-benzyl-1-(3-methylbutanoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 97478935
1-(4-methoxybenzoyl)-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42680313

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-3-N-methyl-3-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1,3-dicarboxamide?
The IUPAC name of 1-N-ethyl-3-N-methyl-3-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1,3-dicarboxamide (CID 42826004) is 1-N-ethyl-3-N-methyl-3-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-ethyl-3-N-methyl-3-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-ethyl-3-N-methyl-3-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1,3-dicarboxamide is CCNC(=O)N1CC(C(=O)N(C)C(C)C)C(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-N-ethyl-3-N-methyl-3-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1,3-dicarboxamide?
The InChIKey is MCOBEPUNANRZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O2/c1-5-23-18(27)25-10-15(16(11-25)17(26)24(4)12(2)3)13-7-6-8-14(9-13)19(20,21)22/h6-9,12,15-16H,5,10-11H2,1-4H3,(H,23,27).
What are the key properties of 1-N-ethyl-3-N-methyl-3-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1,3-dicarboxamide?
1-N-ethyl-3-N-methyl-3-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1,3-dicarboxamide has a molecular weight of 385.43 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-3-N-methyl-3-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 42826004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).