N,N-dimethyl-3-[N-methyl-C-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]carbonimidoyl]benzamide;2-methylpropane

C19H27F3N2O — CID 143533975

IUPACN,N-dimethyl-3-[N-methyl-C-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]carbonimidoyl]benzamide;2-methylpropane
SMILESC/N=C(\C=C(/C)C(F)(F)F)c1cccc(C(=O)N(C)C)c1.CC(C)C
InChIInChI=1S/C15H17F3N2O.C4H10/c1-10(15(16,17)18)8-13(19-2)11-6-5-7-12(9-11)14(21)20(3)4;1-4(2)3/h5-9H,1-4H3;4H,1-3H3/b10-8+,19-13+;
InChIKeyCORPYCMVLGJCMC-CDIACTJYSA-N
MW356.43 g/mol
LogP4.98
Rot. Bonds3

About N,N-dimethyl-3-[N-methyl-C-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]carbonimidoyl]benzamide;2-methylpropane

N,N-dimethyl-3-[N-methyl-C-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]carbonimidoyl]benzamide;2-methylpropane (PubChem CID 143533975) has the molecular formula C19H27F3N2O and a molecular weight of 356.43 g/mol. Its IUPAC name is N,N-dimethyl-3-[N-methyl-C-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]carbonimidoyl]benzamide;2-methylpropane.

Molecular Properties

Compound NameN,N-dimethyl-3-[N-methyl-C-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]carbonimidoyl]benzamide;2-methylpropane
PubChem CID143533975
Molecular FormulaC19H27F3N2O
Molecular Weight356.43 g/mol
Exact Mass356.21
IUPAC NameN,N-dimethyl-3-[N-methyl-C-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]carbonimidoyl]benzamide;2-methylpropane
SMILESC/N=C(\C=C(/C)C(F)(F)F)c1cccc(C(=O)N(C)C)c1.CC(C)C
InChIInChI=1S/C15H17F3N2O.C4H10/c1-10(15(16,17)18)8-13(19-2)11-6-5-7-12(9-11)14(21)20(3)4;1-4(2)3/h5-9H,1-4H3;4H,1-3H3/b10-8+,19-13+;
InChIKeyCORPYCMVLGJCMC-CDIACTJYSA-N
XLogP4.98
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 143533773
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N,N-dimethyl-3-[2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]ethyl]benzamide
CID 111771916
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N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
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CID 168533468
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CID 170603252
N,N-dimethyl-3-[3-(methylamino)prop-1-enyl]benzamide
CID 169474233
3-[2-hydroxypropyl(methyl)carbamoyl]benzoic acid
CID 62338581
(E)-3-[3-[methyl(propan-2-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 94231066
3-[(E)-1,2-diphenylethenyl]-N,N-dimethylbenzamide
CID 121493703

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[N-methyl-C-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]carbonimidoyl]benzamide;2-methylpropane?
The IUPAC name of N,N-dimethyl-3-[N-methyl-C-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]carbonimidoyl]benzamide;2-methylpropane (CID 143533975) is N,N-dimethyl-3-[N-methyl-C-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]carbonimidoyl]benzamide;2-methylpropane.
What is the SMILES notation for N,N-dimethyl-3-[N-methyl-C-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]carbonimidoyl]benzamide;2-methylpropane?
The canonical SMILES for N,N-dimethyl-3-[N-methyl-C-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]carbonimidoyl]benzamide;2-methylpropane is C/N=C(\C=C(/C)C(F)(F)F)c1cccc(C(=O)N(C)C)c1.CC(C)C.
What is the InChIKey of N,N-dimethyl-3-[N-methyl-C-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]carbonimidoyl]benzamide;2-methylpropane?
The InChIKey is CORPYCMVLGJCMC-CDIACTJYSA-N. The full InChI is InChI=1S/C15H17F3N2O.C4H10/c1-10(15(16,17)18)8-13(19-2)11-6-5-7-12(9-11)14(21)20(3)4;1-4(2)3/h5-9H,1-4H3;4H,1-3H3/b10-8+,19-13+;.
What are the key properties of N,N-dimethyl-3-[N-methyl-C-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]carbonimidoyl]benzamide;2-methylpropane?
N,N-dimethyl-3-[N-methyl-C-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]carbonimidoyl]benzamide;2-methylpropane has a molecular weight of 356.43 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[N-methyl-C-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]carbonimidoyl]benzamide;2-methylpropane is sourced from PubChem (CID 143533975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).