(2E,4E)-N-(2-methylpropyl)-5-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]penta-2,4-dienamide

C19H22F3NO — CID 19770012

IUPAC(2E,4E)-N-(2-methylpropyl)-5-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]penta-2,4-dienamide
SMILESCC(C)CNC(=O)/C=C/C=C/C1CC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H22F3NO/c1-13(2)12-23-18(24)9-4-3-6-15-11-17(15)14-7-5-8-16(10-14)19(20,21)22/h3-10,13,15,17H,11-12H2,1-2H3,(H,23,24)/b6-3+,9-4+
InChIKeySKHXGJGKVDQSRE-PLPQCDBPSA-N
MW337.39 g/mol
LogP4.69
Rot. Bonds6

About (2E,4E)-N-(2-methylpropyl)-5-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]penta-2,4-dienamide

(2E,4E)-N-(2-methylpropyl)-5-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]penta-2,4-dienamide (PubChem CID 19770012) has the molecular formula C19H22F3NO and a molecular weight of 337.39 g/mol. Its IUPAC name is (2E,4E)-N-(2-methylpropyl)-5-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-methylpropyl)-5-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]penta-2,4-dienamide
PubChem CID19770012
Molecular FormulaC19H22F3NO
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name(2E,4E)-N-(2-methylpropyl)-5-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]penta-2,4-dienamide
SMILESCC(C)CNC(=O)/C=C/C=C/C1CC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H22F3NO/c1-13(2)12-23-18(24)9-4-3-6-15-11-17(15)14-7-5-8-16(10-14)19(20,21)22/h3-10,13,15,17H,11-12H2,1-2H3,(H,23,24)/b6-3+,9-4+
InChIKeySKHXGJGKVDQSRE-PLPQCDBPSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-N-(2-methylpropyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide
CID 88635399
5-[(1S,2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropyl]-3-methyl-N-(2-methylpropyl)penta-2,4-dienamide
CID 54553975
N-[(2R)-2-(ethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 120650795
1-(4-methoxybenzoyl)-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42680313
N-(3-aminobutyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119497155
N-(3-methylbutyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42825250
1-N-ethyl-3-N-methyl-3-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1,3-dicarboxamide
CID 42826004
(3S,4S)-N-benzyl-1-(3-methylbutanoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 97478935
methyl 2-[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]acetate
CID 101035785
(3S,4R)-N-(3-methylbutyl)-1-(2-methylpropanoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93149126
(2E,4E)-3-methyl-N-(2-methylpropyl)-5-[2-(3,4,5-trichlorophenyl)cyclopropyl]penta-2,4-dienamide
CID 19769936
2-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 62763612

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2-methylpropyl)-5-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]penta-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-methylpropyl)-5-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]penta-2,4-dienamide (CID 19770012) is (2E,4E)-N-(2-methylpropyl)-5-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]penta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-methylpropyl)-5-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]penta-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-methylpropyl)-5-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]penta-2,4-dienamide is CC(C)CNC(=O)/C=C/C=C/C1CC1c1cccc(C(F)(F)F)c1.
What is the InChIKey of (2E,4E)-N-(2-methylpropyl)-5-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]penta-2,4-dienamide?
The InChIKey is SKHXGJGKVDQSRE-PLPQCDBPSA-N. The full InChI is InChI=1S/C19H22F3NO/c1-13(2)12-23-18(24)9-4-3-6-15-11-17(15)14-7-5-8-16(10-14)19(20,21)22/h3-10,13,15,17H,11-12H2,1-2H3,(H,23,24)/b6-3+,9-4+.
What are the key properties of (2E,4E)-N-(2-methylpropyl)-5-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]penta-2,4-dienamide?
(2E,4E)-N-(2-methylpropyl)-5-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]penta-2,4-dienamide has a molecular weight of 337.39 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-methylpropyl)-5-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]penta-2,4-dienamide is sourced from PubChem (CID 19770012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).