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

C19H24N2O2 — CID 56910378

IUPAC4-(3-hydroxy-3-methylbutyl)-N-(2-pyridin-4-ylethyl)benzamide
SMILESCC(C)(O)CCc1ccc(C(=O)NCCc2ccncc2)cc1
InChIInChI=1S/C19H24N2O2/c1-19(2,23)11-7-15-3-5-17(6-4-15)18(22)21-14-10-16-8-12-20-13-9-16/h3-6,8-9,12-13,23H,7,10-11,14H2,1-2H3,(H,21,22)
InChIKeyOHNNFRNWXXUOHT-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.76
Rot. Bonds7

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

4-(3-hydroxy-3-methylbutyl)-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 56910378) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylbutyl)-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylbutyl)-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID56910378
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name4-(3-hydroxy-3-methylbutyl)-N-(2-pyridin-4-ylethyl)benzamide
SMILESCC(C)(O)CCc1ccc(C(=O)NCCc2ccncc2)cc1
InChIInChI=1S/C19H24N2O2/c1-19(2,23)11-7-15-3-5-17(6-4-15)18(22)21-14-10-16-8-12-20-13-9-16/h3-6,8-9,12-13,23H,7,10-11,14H2,1-2H3,(H,21,22)
InChIKeyOHNNFRNWXXUOHT-UHFFFAOYSA-N
XLogP2.76
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 70990816
4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]benzamide
CID 95897248
4-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 56914204
N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 110787242
N-(3,3-dimethylbutyl)pyridine-4-carboxamide
CID 68891384
2-methyl-4-(2-pyridin-4-ylethylamino)butan-2-ol
CID 79359431
2-bromo-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 82110489
4-(3-hydroxy-3-methylbutyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 56909604
3,5-diamino-N-(2-pyridin-4-ylethyl)benzamide
CID 61104259
N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65109884
6-oxo-N-(2-pyridin-4-ylethyl)pyran-3-carboxamide
CID 45497150
N-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide
CID 110404973

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylbutyl)-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of 4-(3-hydroxy-3-methylbutyl)-N-(2-pyridin-4-ylethyl)benzamide (CID 56910378) is 4-(3-hydroxy-3-methylbutyl)-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 4-(3-hydroxy-3-methylbutyl)-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 4-(3-hydroxy-3-methylbutyl)-N-(2-pyridin-4-ylethyl)benzamide is CC(C)(O)CCc1ccc(C(=O)NCCc2ccncc2)cc1.
What is the InChIKey of 4-(3-hydroxy-3-methylbutyl)-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is OHNNFRNWXXUOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-19(2,23)11-7-15-3-5-17(6-4-15)18(22)21-14-10-16-8-12-20-13-9-16/h3-6,8-9,12-13,23H,7,10-11,14H2,1-2H3,(H,21,22).
What are the key properties of 4-(3-hydroxy-3-methylbutyl)-N-(2-pyridin-4-ylethyl)benzamide?
4-(3-hydroxy-3-methylbutyl)-N-(2-pyridin-4-ylethyl)benzamide has a molecular weight of 312.41 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-methylbutyl)-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 56910378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).