N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide

C23H29F3N2O2 — CID 155088072

IUPACN-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide
SMILESC#CCN(C(=O)c1ccccc1C(F)(F)F)C(C(=O)NCCCC)C1CCCCC1
InChIInChI=1S/C23H29F3N2O2/c1-3-5-15-27-21(29)20(17-11-7-6-8-12-17)28(16-4-2)22(30)18-13-9-10-14-19(18)23(24,25)26/h2,9-10,13-14,17,20H,3,5-8,11-12,15-16H2,1H3,(H,27,29)
InChIKeyGOFDEBDRHMZLGP-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.65
Rot. Bonds8

About N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide

N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide (PubChem CID 155088072) has the molecular formula C23H29F3N2O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide
PubChem CID155088072
Molecular FormulaC23H29F3N2O2
Molecular Weight422.49 g/mol
Exact Mass422.22
IUPAC NameN-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide
SMILESC#CCN(C(=O)c1ccccc1C(F)(F)F)C(C(=O)NCCCC)C1CCCCC1
InChIInChI=1S/C23H29F3N2O2/c1-3-5-15-27-21(29)20(17-11-7-6-8-12-17)28(16-4-2)22(30)18-13-9-10-14-19(18)23(24,25)26/h2,9-10,13-14,17,20H,3,5-8,11-12,15-16H2,1H3,(H,27,29)
InChIKeyGOFDEBDRHMZLGP-UHFFFAOYSA-N
XLogP4.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-cyclohexyl-2-methylsulfanylbenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-cyclohexyl-2-(trifluoromethyl)benzamide;N-[1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide;N-cyclohexyl-N-[1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-2-methylsulfanylbenzamide;N-cyclohexyl-N-[1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-2-(trifluoromethyl)benzamide
CID 157148622
N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methyl-N-prop-2-ynylbenzamide;ethane
CID 145207801
N-[1-cyclohexyl-2-(cyclohexylmethylamino)-2-oxoethyl]-2-hydroxy-N-prop-2-ynylbenzamide
CID 155088191
N-[2-(benzylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynylbenzamide
CID 155088094
N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N,2-diphenylbenzamide
CID 140923009
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
N-[2-(cycloheptylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 119619762
N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide
CID 55469731
N-benzyl-N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-iodobenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-hexyl-2-iodobenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-iodo-N-prop-2-enylbenzamide;N-cyclohexyl-N-[1-cyclohexyl-2-(naphthalen-2-ylamino)-2-oxoethyl]-2-iodobenzamide;N-[1-cyclohexyl-2-(naphthalen-2-ylamino)-2-oxoethyl]-N-prop-2-ynylbenzamide
CID 159140811
N-butyl-2-cyclohexyl-2-(N-[3-(2-methylphenyl)oxiran-2-yl]anilino)acetamide
CID 145207815
N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 108542412

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide (CID 155088072) is N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide is C#CCN(C(=O)c1ccccc1C(F)(F)F)C(C(=O)NCCCC)C1CCCCC1.
What is the InChIKey of N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide?
The InChIKey is GOFDEBDRHMZLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N2O2/c1-3-5-15-27-21(29)20(17-11-7-6-8-12-17)28(16-4-2)22(30)18-13-9-10-14-19(18)23(24,25)26/h2,9-10,13-14,17,20H,3,5-8,11-12,15-16H2,1H3,(H,27,29).
What are the key properties of N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide?
N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide has a molecular weight of 422.49 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 155088072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).