3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide

C20H26N2O2 — CID 70786055

IUPAC3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
SMILESCc1cccnc1CN(C)C(=O)c1cccc(CCC(C)(C)O)c1
InChIInChI=1S/C20H26N2O2/c1-15-7-6-12-21-18(15)14-22(4)19(23)17-9-5-8-16(13-17)10-11-20(2,3)24/h5-9,12-13,24H,10-11,14H2,1-4H3
InChIKeyHLGZCUWUZLWPMG-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.37
Rot. Bonds6

About 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide

3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide (PubChem CID 70786055) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
PubChem CID70786055
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
SMILESCc1cccnc1CN(C)C(=O)c1cccc(CCC(C)(C)O)c1
InChIInChI=1S/C20H26N2O2/c1-15-7-6-12-21-18(15)14-22(4)19(23)17-9-5-8-16(13-17)10-11-20(2,3)24/h5-9,12-13,24H,10-11,14H2,1-4H3
InChIKeyHLGZCUWUZLWPMG-UHFFFAOYSA-N
XLogP3.37
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(quinolin-5-ylmethyl)benzamide
CID 70732520
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 70715084
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
CID 70761369
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide
CID 70742457
4-(3-hydroxy-3-methylbutyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide
CID 70751420
N-methyl-N-[(3-methyl-2-pyridinyl)methyl]carbamoyl chloride
CID 146479339
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 70712928
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
CID 70747441
4,4,4-trifluoro-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide
CID 90650041
2-methyl-2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]propanoic acid
CID 112650853
N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide
CID 95895767
N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide
CID 95862431

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide?
The IUPAC name of 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide (CID 70786055) is 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide is Cc1cccnc1CN(C)C(=O)c1cccc(CCC(C)(C)O)c1.
What is the InChIKey of 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide?
The InChIKey is HLGZCUWUZLWPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15-7-6-12-21-18(15)14-22(4)19(23)17-9-5-8-16(13-17)10-11-20(2,3)24/h5-9,12-13,24H,10-11,14H2,1-4H3.
What are the key properties of 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide?
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide has a molecular weight of 326.44 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 70786055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).