benzyl N-[2-oxo-1-[2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-6-phenyl-3-pyridinyl]carbamate

C24H22F3N3O4 — CID 139631472

IUPACbenzyl N-[2-oxo-1-[2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-6-phenyl-3-pyridinyl]carbamate
SMILESCC(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)OCc2ccccc2)c1=O)C(F)(F)F
InChIInChI=1S/C24H22F3N3O4/c1-16(24(25,26)27)28-21(31)14-30-20(18-10-6-3-7-11-18)13-12-19(22(30)32)29-23(33)34-15-17-8-4-2-5-9-17/h2-13,16H,14-15H2,1H3,(H,28,31)(H,29,33)
InChIKeyGTKONQBWJZZDKD-UHFFFAOYSA-N
MW473.45 g/mol
LogP4.33
Rot. Bonds7

About benzyl N-[2-oxo-1-[2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-6-phenyl-3-pyridinyl]carbamate

benzyl N-[2-oxo-1-[2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-6-phenyl-3-pyridinyl]carbamate (PubChem CID 139631472) has the molecular formula C24H22F3N3O4 and a molecular weight of 473.45 g/mol. Its IUPAC name is benzyl N-[2-oxo-1-[2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-6-phenyl-3-pyridinyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-oxo-1-[2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-6-phenyl-3-pyridinyl]carbamate
PubChem CID139631472
Molecular FormulaC24H22F3N3O4
Molecular Weight473.45 g/mol
Exact Mass473.16
IUPAC Namebenzyl N-[2-oxo-1-[2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-6-phenyl-3-pyridinyl]carbamate
SMILESCC(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)OCc2ccccc2)c1=O)C(F)(F)F
InChIInChI=1S/C24H22F3N3O4/c1-16(24(25,26)27)28-21(31)14-30-20(18-10-6-3-7-11-18)13-12-19(22(30)32)29-23(33)34-15-17-8-4-2-5-9-17/h2-13,16H,14-15H2,1H3,(H,28,31)(H,29,33)
InChIKeyGTKONQBWJZZDKD-UHFFFAOYSA-N
XLogP4.33
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.45
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze benzyl N-[2-oxo-1-[2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-6-phenyl-3-pyridinyl]carbamate with MolForge

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Related Compounds

benzyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-6-pyridin-3-yl-3-pyridinyl]carbamate
CID 10459716
CID 67747645
CID 67747645
methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate
CID 10456684
4-[2-oxo-2-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]amino]ethyl]benzoic acid
CID 22405560
(2,5-dioxopyrrolidin-1-yl)methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate
CID 22405483
1H-imidazol-5-ylmethyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate;2,2,2-trifluoroacetic acid
CID 86749524
benzyl N-[1-[2-[[5,5-difluoro-4-(hydroxymethyl)-3-(2-phenylethylcarbamoyl)pentyl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]carbamate
CID 70079730
(6-methyl-2-pyridinyl)methyl N-[1-[2-[[4-[tert-butyl(dimethyl)silyl]oxy-5,5-difluoro-2-methyl-6-oxo-6-(2-phenylethylamino)hexan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]carbamate
CID 19695846
[3-acetyloxy-2-(acetyloxymethyl)-2-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamoylamino]propyl] acetate
CID 22405538
4-[[2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)acetyl]amino]-2,2-difluoro-5-methyl-3-oxo-N-(2-phenylethyl)hexanamide
CID 19695840
benzyl N-[1-[2-[[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate
CID 173250177
2-(4-nitrophenyl)-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide
CID 22405561

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-oxo-1-[2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-6-phenyl-3-pyridinyl]carbamate?
The IUPAC name of benzyl N-[2-oxo-1-[2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-6-phenyl-3-pyridinyl]carbamate (CID 139631472) is benzyl N-[2-oxo-1-[2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-6-phenyl-3-pyridinyl]carbamate.
What is the SMILES notation for benzyl N-[2-oxo-1-[2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-6-phenyl-3-pyridinyl]carbamate?
The canonical SMILES for benzyl N-[2-oxo-1-[2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-6-phenyl-3-pyridinyl]carbamate is CC(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)OCc2ccccc2)c1=O)C(F)(F)F.
What is the InChIKey of benzyl N-[2-oxo-1-[2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-6-phenyl-3-pyridinyl]carbamate?
The InChIKey is GTKONQBWJZZDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O4/c1-16(24(25,26)27)28-21(31)14-30-20(18-10-6-3-7-11-18)13-12-19(22(30)32)29-23(33)34-15-17-8-4-2-5-9-17/h2-13,16H,14-15H2,1H3,(H,28,31)(H,29,33).
What are the key properties of benzyl N-[2-oxo-1-[2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-6-phenyl-3-pyridinyl]carbamate?
benzyl N-[2-oxo-1-[2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-6-phenyl-3-pyridinyl]carbamate has a molecular weight of 473.45 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-oxo-1-[2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-6-phenyl-3-pyridinyl]carbamate is sourced from PubChem (CID 139631472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).