4-(3-hydroxy-3-methylbutyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide

C20H25NO3 — CID 70751420

IUPAC4-(3-hydroxy-3-methylbutyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1ccc(CCC(C)(C)O)cc1
InChIInChI=1S/C20H25NO3/c1-20(2,24)12-11-15-7-9-17(10-8-15)19(23)21(3)14-16-5-4-6-18(22)13-16/h4-10,13,22,24H,11-12,14H2,1-3H3
InChIKeyFSXXQKUGESVOBU-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.37
Rot. Bonds6

About 4-(3-hydroxy-3-methylbutyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide

4-(3-hydroxy-3-methylbutyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide (PubChem CID 70751420) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylbutyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylbutyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide
PubChem CID70751420
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name4-(3-hydroxy-3-methylbutyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1ccc(CCC(C)(C)O)cc1
InChIInChI=1S/C20H25NO3/c1-20(2,24)12-11-15-7-9-17(10-8-15)19(23)21(3)14-16-5-4-6-18(22)13-16/h4-10,13,22,24H,11-12,14H2,1-3H3
InChIKeyFSXXQKUGESVOBU-UHFFFAOYSA-N
XLogP3.37
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 66464110
6-chloro-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 47298789
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid
CID 60951116
N-[(3-hydroxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63049252
4-(3-hydroxy-3-methylbutyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 56900068
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 70786055
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(quinolin-5-ylmethyl)benzamide
CID 70732520
N-[(3-cyanophenyl)methyl]-3-hydroxy-N-methylbenzamide
CID 62968287
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 70715084
N-[(3-fluorophenyl)methyl]-3,5-dihydroxy-N-methylbenzamide
CID 103891567
2-chloro-N-[(3-hydroxyphenyl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide
CID 56805111

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylbutyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-(3-hydroxy-3-methylbutyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide (CID 70751420) is 4-(3-hydroxy-3-methylbutyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(3-hydroxy-3-methylbutyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-(3-hydroxy-3-methylbutyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide is CN(Cc1cccc(O)c1)C(=O)c1ccc(CCC(C)(C)O)cc1.
What is the InChIKey of 4-(3-hydroxy-3-methylbutyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is FSXXQKUGESVOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-20(2,24)12-11-15-7-9-17(10-8-15)19(23)21(3)14-16-5-4-6-18(22)13-16/h4-10,13,22,24H,11-12,14H2,1-3H3.
What are the key properties of 4-(3-hydroxy-3-methylbutyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide?
4-(3-hydroxy-3-methylbutyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 327.42 g/mol, XLogP of 3.37, 6 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-[(3-hydroxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 70751420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).