N-[2-[[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide

C17H23F3N2O3 — CID 97260201

IUPACN-[2-[[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESCC(C)(C)[C@@H](CCO)NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O3/c1-16(2,3)13(8-9-23)22-14(24)10-21-15(25)11-4-6-12(7-5-11)17(18,19)20/h4-7,13,23H,8-10H2,1-3H3,(H,21,25)(H,22,24)/t13-/m1/s1
InChIKeyPLHBEDHMTNCNRJ-CYBMUJFWSA-N
MW360.38 g/mol
LogP2.35
Rot. Bonds6

About N-[2-[[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide

N-[2-[[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide (PubChem CID 97260201) has the molecular formula C17H23F3N2O3 and a molecular weight of 360.38 g/mol. Its IUPAC name is N-[2-[[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
PubChem CID97260201
Molecular FormulaC17H23F3N2O3
Molecular Weight360.38 g/mol
Exact Mass360.17
IUPAC NameN-[2-[[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESCC(C)(C)[C@@H](CCO)NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O3/c1-16(2,3)13(8-9-23)22-14(24)10-21-15(25)11-4-6-12(7-5-11)17(18,19)20/h4-7,13,23H,8-10H2,1-3H3,(H,21,25)(H,22,24)/t13-/m1/s1
InChIKeyPLHBEDHMTNCNRJ-CYBMUJFWSA-N
XLogP2.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-[[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide 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

N-[2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2-oxoethyl]benzamide
CID 103941024
N-[2-(2-methylpropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 86976279
4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941003
N-(3-hydroxy-4,4-dimethylpentyl)-4-(trifluoromethyl)benzamide
CID 71787595
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-propan-2-ylbenzamide
CID 106353051
N-[2-[2-(methylamino)propylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 120833138
N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 119503351
4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 770701
N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112990650
(2S)-4-hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 107821860
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylsulfonylbenzamide
CID 103940884
N-[2-(4-acetylanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 26681918

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide (CID 97260201) is N-[2-[[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide is CC(C)(C)[C@@H](CCO)NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is PLHBEDHMTNCNRJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23F3N2O3/c1-16(2,3)13(8-9-23)22-14(24)10-21-15(25)11-4-6-12(7-5-11)17(18,19)20/h4-7,13,23H,8-10H2,1-3H3,(H,21,25)(H,22,24)/t13-/m1/s1.
What are the key properties of N-[2-[[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
N-[2-[[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 360.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 97260201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).