3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(quinolin-5-ylmethyl)benzamide

C23H26N2O2 — CID 70732520

IUPAC3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(quinolin-5-ylmethyl)benzamide
SMILESCN(Cc1cccc2ncccc12)C(=O)c1cccc(CCC(C)(C)O)c1
InChIInChI=1S/C23H26N2O2/c1-23(2,27)13-12-17-7-4-8-18(15-17)22(26)25(3)16-19-9-5-11-21-20(19)10-6-14-24-21/h4-11,14-15,27H,12-13,16H2,1-3H3
InChIKeyLNCKUUMJCLDACX-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.21
Rot. Bonds6

About 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(quinolin-5-ylmethyl)benzamide

3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(quinolin-5-ylmethyl)benzamide (PubChem CID 70732520) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(quinolin-5-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(quinolin-5-ylmethyl)benzamide
PubChem CID70732520
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(quinolin-5-ylmethyl)benzamide
SMILESCN(Cc1cccc2ncccc12)C(=O)c1cccc(CCC(C)(C)O)c1
InChIInChI=1S/C23H26N2O2/c1-23(2,27)13-12-17-7-4-8-18(15-17)22(26)25(3)16-19-9-5-11-21-20(19)10-6-14-24-21/h4-11,14-15,27H,12-13,16H2,1-3H3
InChIKeyLNCKUUMJCLDACX-UHFFFAOYSA-N
XLogP4.21
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 70786055
N-methyl-3-(pyrazol-1-ylmethyl)-N-(quinolin-4-ylmethyl)benzamide
CID 50982439
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 70715084
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide
CID 70742457
N-[2-[methyl(quinolin-5-ylmethyl)amino]-2-oxoethyl]benzamide
CID 70751619
N-methyl-N-(quinolin-5-ylmethyl)tetrazolo[1,5-a]pyridine-6-carboxamide
CID 70727747
4-(3-hydroxy-3-methylbutyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide
CID 70751420
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
propan-2-yl N-methyl-N-(quinolin-5-ylmethyl)carbamate
CID 135388422
N-methyl-2-oxo-6-phenyl-N-(quinolin-5-ylmethyl)-1H-pyridine-3-carboxamide
CID 56908393
N-methyl-6-(4-methylpiperazin-1-yl)-N-(quinolin-5-ylmethyl)pyridine-2-carboxamide
CID 166244775

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(quinolin-5-ylmethyl)benzamide?
The IUPAC name of 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(quinolin-5-ylmethyl)benzamide (CID 70732520) is 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(quinolin-5-ylmethyl)benzamide.
What is the SMILES notation for 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(quinolin-5-ylmethyl)benzamide?
The canonical SMILES for 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(quinolin-5-ylmethyl)benzamide is CN(Cc1cccc2ncccc12)C(=O)c1cccc(CCC(C)(C)O)c1.
What is the InChIKey of 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(quinolin-5-ylmethyl)benzamide?
The InChIKey is LNCKUUMJCLDACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-23(2,27)13-12-17-7-4-8-18(15-17)22(26)25(3)16-19-9-5-11-21-20(19)10-6-14-24-21/h4-11,14-15,27H,12-13,16H2,1-3H3.
What are the key properties of 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(quinolin-5-ylmethyl)benzamide?
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(quinolin-5-ylmethyl)benzamide has a molecular weight of 362.47 g/mol, XLogP of 4.21, 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-(quinolin-5-ylmethyl)benzamide is sourced from PubChem (CID 70732520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).