benzyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate

C26H24F3N3O5 — CID 22405556

IUPACbenzyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate
SMILESCCC(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C26H24F3N3O5/c1-2-19(23(34)26(27,28)29)30-22(33)15-32-21(18-11-7-4-8-12-18)14-13-20(24(32)35)31-25(36)37-16-17-9-5-3-6-10-17/h3-14,19H,2,15-16H2,1H3,(H,30,33)(H,31,36)
InChIKeyOUZWYSYGCTXPKW-UHFFFAOYSA-N
MW515.49 g/mol
LogP4.29
Rot. Bonds9

About benzyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate

benzyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate (PubChem CID 22405556) has the molecular formula C26H24F3N3O5 and a molecular weight of 515.49 g/mol. Its IUPAC name is benzyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate
PubChem CID22405556
Molecular FormulaC26H24F3N3O5
Molecular Weight515.49 g/mol
Exact Mass515.17
IUPAC Namebenzyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate
SMILESCCC(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C26H24F3N3O5/c1-2-19(23(34)26(27,28)29)30-22(33)15-32-21(18-11-7-4-8-12-18)14-13-20(24(32)35)31-25(36)37-16-17-9-5-3-6-10-17/h3-14,19H,2,15-16H2,1H3,(H,30,33)(H,31,36)
InChIKeyOUZWYSYGCTXPKW-UHFFFAOYSA-N
XLogP4.29
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.49
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate?
The IUPAC name of benzyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate (CID 22405556) is benzyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate.
What is the SMILES notation for benzyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate?
The canonical SMILES for benzyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate is CCC(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F.
What is the InChIKey of benzyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate?
The InChIKey is OUZWYSYGCTXPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O5/c1-2-19(23(34)26(27,28)29)30-22(33)15-32-21(18-11-7-4-8-12-18)14-13-20(24(32)35)31-25(36)37-16-17-9-5-3-6-10-17/h3-14,19H,2,15-16H2,1H3,(H,30,33)(H,31,36).
What are the key properties of benzyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate?
benzyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate has a molecular weight of 515.49 g/mol, XLogP of 4.29, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate is sourced from PubChem (CID 22405556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).