N-[5,5-dimethyl-1,2-dioxo-1-[(2E)-2-[1-[3-(trifluoromethyl)phenyl]ethylidene]hydrazinyl]hexan-3-yl]cyclohexanecarboxamide

C24H32F3N3O3 — CID 87150262

IUPACN-[5,5-dimethyl-1,2-dioxo-1-[(2E)-2-[1-[3-(trifluoromethyl)phenyl]ethylidene]hydrazinyl]hexan-3-yl]cyclohexanecarboxamide
SMILESC/C(=N\NC(=O)C(=O)C(CC(C)(C)C)NC(=O)C1CCCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H32F3N3O3/c1-15(17-11-8-12-18(13-17)24(25,26)27)29-30-22(33)20(31)19(14-23(2,3)4)28-21(32)16-9-6-5-7-10-16/h8,11-13,16,19H,5-7,9-10,14H2,1-4H3,(H,28,32)(H,30,33)/b29-15+
InChIKeyVERVXRQXKWJQFJ-WKULSOCRSA-N
MW467.53 g/mol
LogP4.62
Rot. Bonds7

About N-[5,5-dimethyl-1,2-dioxo-1-[(2E)-2-[1-[3-(trifluoromethyl)phenyl]ethylidene]hydrazinyl]hexan-3-yl]cyclohexanecarboxamide

N-[5,5-dimethyl-1,2-dioxo-1-[(2E)-2-[1-[3-(trifluoromethyl)phenyl]ethylidene]hydrazinyl]hexan-3-yl]cyclohexanecarboxamide (PubChem CID 87150262) has the molecular formula C24H32F3N3O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[5,5-dimethyl-1,2-dioxo-1-[(2E)-2-[1-[3-(trifluoromethyl)phenyl]ethylidene]hydrazinyl]hexan-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5,5-dimethyl-1,2-dioxo-1-[(2E)-2-[1-[3-(trifluoromethyl)phenyl]ethylidene]hydrazinyl]hexan-3-yl]cyclohexanecarboxamide
PubChem CID87150262
Molecular FormulaC24H32F3N3O3
Molecular Weight467.53 g/mol
Exact Mass467.24
IUPAC NameN-[5,5-dimethyl-1,2-dioxo-1-[(2E)-2-[1-[3-(trifluoromethyl)phenyl]ethylidene]hydrazinyl]hexan-3-yl]cyclohexanecarboxamide
SMILESC/C(=N\NC(=O)C(=O)C(CC(C)(C)C)NC(=O)C1CCCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H32F3N3O3/c1-15(17-11-8-12-18(13-17)24(25,26)27)29-30-22(33)20(31)19(14-23(2,3)4)28-21(32)16-9-6-5-7-10-16/h8,11-13,16,19H,5-7,9-10,14H2,1-4H3,(H,28,32)(H,30,33)/b29-15+
InChIKeyVERVXRQXKWJQFJ-WKULSOCRSA-N
XLogP4.62
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide
CID 112764056
N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide
CID 19685369
N'-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]oxamide
CID 3771938
N-[5,5-dimethyl-1,2-dioxo-1-[(2Z)-2-(3,4,4-trimethyl-1,3-thiazolidin-2-ylidene)hydrazinyl]hexan-3-yl]cyclohexanecarboxamide;hydrochloride
CID 87150159
N,N'-bis[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]octanediamide
CID 4578021
1-ethyl-3-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]thiourea
CID 5147935
N-[3-[(Z)-C-methyl-N-[(2-phenylacetyl)amino]carbonimidoyl]phenyl]cyclohexanecarboxamide
CID 6260418
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
N-(1-naphthalen-2-ylethylideneamino)cyclohexanecarboxamide
CID 832851
N-[(Z)-1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-fluorobenzamide
CID 6026889
N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-methylbenzamide
CID 3653941
2-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]benzamide
CID 5050427

Frequently Asked Questions

What is the IUPAC name of N-[5,5-dimethyl-1,2-dioxo-1-[(2E)-2-[1-[3-(trifluoromethyl)phenyl]ethylidene]hydrazinyl]hexan-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5,5-dimethyl-1,2-dioxo-1-[(2E)-2-[1-[3-(trifluoromethyl)phenyl]ethylidene]hydrazinyl]hexan-3-yl]cyclohexanecarboxamide (CID 87150262) is N-[5,5-dimethyl-1,2-dioxo-1-[(2E)-2-[1-[3-(trifluoromethyl)phenyl]ethylidene]hydrazinyl]hexan-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5,5-dimethyl-1,2-dioxo-1-[(2E)-2-[1-[3-(trifluoromethyl)phenyl]ethylidene]hydrazinyl]hexan-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5,5-dimethyl-1,2-dioxo-1-[(2E)-2-[1-[3-(trifluoromethyl)phenyl]ethylidene]hydrazinyl]hexan-3-yl]cyclohexanecarboxamide is C/C(=N\NC(=O)C(=O)C(CC(C)(C)C)NC(=O)C1CCCCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[5,5-dimethyl-1,2-dioxo-1-[(2E)-2-[1-[3-(trifluoromethyl)phenyl]ethylidene]hydrazinyl]hexan-3-yl]cyclohexanecarboxamide?
The InChIKey is VERVXRQXKWJQFJ-WKULSOCRSA-N. The full InChI is InChI=1S/C24H32F3N3O3/c1-15(17-11-8-12-18(13-17)24(25,26)27)29-30-22(33)20(31)19(14-23(2,3)4)28-21(32)16-9-6-5-7-10-16/h8,11-13,16,19H,5-7,9-10,14H2,1-4H3,(H,28,32)(H,30,33)/b29-15+.
What are the key properties of N-[5,5-dimethyl-1,2-dioxo-1-[(2E)-2-[1-[3-(trifluoromethyl)phenyl]ethylidene]hydrazinyl]hexan-3-yl]cyclohexanecarboxamide?
N-[5,5-dimethyl-1,2-dioxo-1-[(2E)-2-[1-[3-(trifluoromethyl)phenyl]ethylidene]hydrazinyl]hexan-3-yl]cyclohexanecarboxamide has a molecular weight of 467.53 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,5-dimethyl-1,2-dioxo-1-[(2E)-2-[1-[3-(trifluoromethyl)phenyl]ethylidene]hydrazinyl]hexan-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 87150262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).