4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]benzamide

C19H24N2O3 — CID 95897248

IUPAC4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]benzamide
SMILESCC(C)(O)CCc1ccc(C(=O)NC[C@H](O)c2ccncc2)cc1
InChIInChI=1S/C19H24N2O3/c1-19(2,24)10-7-14-3-5-16(6-4-14)18(23)21-13-17(22)15-8-11-20-12-9-15/h3-6,8-9,11-12,17,22,24H,7,10,13H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyWXEGJGHKPQLVTB-KRWDZBQOSA-N
MW328.41 g/mol
LogP2.25
Rot. Bonds7

About 4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]benzamide

4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]benzamide (PubChem CID 95897248) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]benzamide.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]benzamide
PubChem CID95897248
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]benzamide
SMILESCC(C)(O)CCc1ccc(C(=O)NC[C@H](O)c2ccncc2)cc1
InChIInChI=1S/C19H24N2O3/c1-19(2,24)10-7-14-3-5-16(6-4-14)18(23)21-13-17(22)15-8-11-20-12-9-15/h3-6,8-9,11-12,17,22,24H,7,10,13H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyWXEGJGHKPQLVTB-KRWDZBQOSA-N
XLogP2.25
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]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

4-(3-hydroxy-3-methylbutyl)-N-(2-pyridin-4-ylethyl)benzamide
CID 56910378
N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 95866889
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 95862889
4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 95860893
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 47178909
N-(2-hydroxy-2-pyridin-4-ylethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110021673
3-(4-ethylphenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)propanamide
CID 71911698
tert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate
CID 129375181
4-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 56914204
N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103686115
N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyridine-4-carboxamide
CID 43004373
N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65109884

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]benzamide?
The IUPAC name of 4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]benzamide (CID 95897248) is 4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]benzamide.
What is the SMILES notation for 4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]benzamide?
The canonical SMILES for 4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]benzamide is CC(C)(O)CCc1ccc(C(=O)NC[C@H](O)c2ccncc2)cc1.
What is the InChIKey of 4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]benzamide?
The InChIKey is WXEGJGHKPQLVTB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-19(2,24)10-7-14-3-5-16(6-4-14)18(23)21-13-17(22)15-8-11-20-12-9-15/h3-6,8-9,11-12,17,22,24H,7,10,13H2,1-2H3,(H,21,23)/t17-/m0/s1.
What are the key properties of 4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]benzamide?
4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]benzamide has a molecular weight of 328.41 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]benzamide is sourced from PubChem (CID 95897248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).