[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate

C19H23F3N2O4 — CID 7880469

IUPAC[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
SMILESCC1CCC(NC(=O)COC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H23F3N2O4/c1-12-2-8-15(9-3-12)24-16(25)11-28-17(26)10-23-18(27)13-4-6-14(7-5-13)19(20,21)22/h4-7,12,15H,2-3,8-11H2,1H3,(H,23,27)(H,24,25)
InChIKeyPICYSXFNVRPGOP-UHFFFAOYSA-N
MW400.40 g/mol
LogP2.67
Rot. Bonds6

About [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate

[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate (PubChem CID 7880469) has the molecular formula C19H23F3N2O4 and a molecular weight of 400.40 g/mol. Its IUPAC name is [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate.

Molecular Properties

Compound Name[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
PubChem CID7880469
Molecular FormulaC19H23F3N2O4
Molecular Weight400.40 g/mol
Exact Mass400.16
IUPAC Name[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
SMILESCC1CCC(NC(=O)COC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H23F3N2O4/c1-12-2-8-15(9-3-12)24-16(25)11-28-17(26)10-23-18(27)13-4-6-14(7-5-13)19(20,21)22/h4-7,12,15H,2-3,8-11H2,1H3,(H,23,27)(H,24,25)
InChIKeyPICYSXFNVRPGOP-UHFFFAOYSA-N
XLogP2.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate with MolForge

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880563
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788243
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880431
[2-(cyclopropylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 40703234
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880632
4-amino-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 24692664
[2-(cyclooctylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 35643140
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880537
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 55320542
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880432
N-[2-oxo-2-(piperidin-4-ylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 119389396
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 27916887

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate?
The IUPAC name of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate (CID 7880469) is [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate.
What is the SMILES notation for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate?
The canonical SMILES for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate is CC1CCC(NC(=O)COC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate?
The InChIKey is PICYSXFNVRPGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O4/c1-12-2-8-15(9-3-12)24-16(25)11-28-17(26)10-23-18(27)13-4-6-14(7-5-13)19(20,21)22/h4-7,12,15H,2-3,8-11H2,1H3,(H,23,27)(H,24,25).
What are the key properties of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate?
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate has a molecular weight of 400.40 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate is sourced from PubChem (CID 7880469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).