benzyl N-[5-[3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate

C19H21F3N2O3 — CID 140644516

IUPACbenzyl N-[5-[3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate
SMILESCC(CCCc1nccc(C(F)(F)F)c1O)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H21F3N2O3/c1-13(24-18(26)27-12-14-7-3-2-4-8-14)6-5-9-16-17(25)15(10-11-23-16)19(20,21)22/h2-4,7-8,10-11,13,25H,5-6,9,12H2,1H3,(H,24,26)
InChIKeyCAUXWLKTKKFROZ-UHFFFAOYSA-N
MW382.38 g/mol
LogP4.44
Rot. Bonds7

About benzyl N-[5-[3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate

benzyl N-[5-[3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate (PubChem CID 140644516) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is benzyl N-[5-[3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[5-[3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate
PubChem CID140644516
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC Namebenzyl N-[5-[3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate
SMILESCC(CCCc1nccc(C(F)(F)F)c1O)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H21F3N2O3/c1-13(24-18(26)27-12-14-7-3-2-4-8-14)6-5-9-16-17(25)15(10-11-23-16)19(20,21)22/h2-4,7-8,10-11,13,25H,5-6,9,12H2,1H3,(H,24,26)
InChIKeyCAUXWLKTKKFROZ-UHFFFAOYSA-N
XLogP4.44
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl N-[5-[3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[(2R)-5-(5-butylfuran-2-yl)pentan-2-yl]carbamate
CID 134874914
benzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate
CID 131182059
benzyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 11631115
benzyl N-(4-methylheptan-2-yl)carbamate
CID 123859243
benzyl N-[5-(2-ethyl-6-ethynyl-4-pyridinyl)pentan-2-yl]carbamate
CID 89304957
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-(3-methylbutan-2-yl)carbamate;ethane
CID 145481818
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
benzyl N-[(2S)-butan-2-yl]carbamate;(2S)-butan-2-amine;deuterium monohydride
CID 160578481
(2,2,2-trifluoroacetyl) (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 174584245
2-(phenylmethoxycarbonylamino)propanoate
CID 4115530
benzyl N-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]carbamate
CID 825900

Frequently Asked Questions

What is the IUPAC name of benzyl N-[5-[3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate?
The IUPAC name of benzyl N-[5-[3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate (CID 140644516) is benzyl N-[5-[3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[5-[3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate?
The canonical SMILES for benzyl N-[5-[3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate is CC(CCCc1nccc(C(F)(F)F)c1O)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[5-[3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate?
The InChIKey is CAUXWLKTKKFROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3/c1-13(24-18(26)27-12-14-7-3-2-4-8-14)6-5-9-16-17(25)15(10-11-23-16)19(20,21)22/h2-4,7-8,10-11,13,25H,5-6,9,12H2,1H3,(H,24,26).
What are the key properties of benzyl N-[5-[3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate?
benzyl N-[5-[3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate has a molecular weight of 382.38 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[5-[3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]pentan-2-yl]carbamate is sourced from PubChem (CID 140644516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).