4-hydroxy-2-methyl-N-(3-methylpentan-3-yl)benzamide

C14H21NO2 — CID 103863806

IUPAC4-hydroxy-2-methyl-N-(3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CC)NC(=O)c1ccc(O)cc1C
InChIInChI=1S/C14H21NO2/c1-5-14(4,6-2)15-13(17)12-8-7-11(16)9-10(12)3/h7-9,16H,5-6H2,1-4H3,(H,15,17)
InChIKeyTUJNMYLCNQOKMU-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.01
Rot. Bonds4

About 4-hydroxy-2-methyl-N-(3-methylpentan-3-yl)benzamide

4-hydroxy-2-methyl-N-(3-methylpentan-3-yl)benzamide (PubChem CID 103863806) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-N-(3-methylpentan-3-yl)benzamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-N-(3-methylpentan-3-yl)benzamide
PubChem CID103863806
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-hydroxy-2-methyl-N-(3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CC)NC(=O)c1ccc(O)cc1C
InChIInChI=1S/C14H21NO2/c1-5-14(4,6-2)15-13(17)12-8-7-11(16)9-10(12)3/h7-9,16H,5-6H2,1-4H3,(H,15,17)
InChIKeyTUJNMYLCNQOKMU-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzamide
CID 75519360
2-chloro-N-(1-chloro-2-methylbutan-2-yl)-5-hydroxybenzamide
CID 106503133
N-[(1Z)-1-amino-1-hydroxyimino-2-methylpropan-2-yl]-4-hydroxy-2-methylbenzamide
CID 107672433
N-(1-chloro-3-methylpentan-3-yl)-2-fluoro-4-hydroxybenzamide
CID 106168256
2-amino-3-methyl-N-(3-methylpentan-3-yl)benzamide
CID 114174059
5-bromo-2-hydroxy-N-(3-methylpentan-3-yl)benzamide
CID 113235186
4-hydroxy-N-methoxy-2-methylbenzamide
CID 103865166
4-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide
CID 103865536
4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide
CID 103867255
2-[(2,4-dimethylbenzoyl)amino]-2-methylbutanoic acid
CID 79793464
4-hydroxy-2-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 103863704
3-amino-2-hydroxy-N-(3-methylpentan-3-yl)benzamide
CID 114174076

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-N-(3-methylpentan-3-yl)benzamide?
The IUPAC name of 4-hydroxy-2-methyl-N-(3-methylpentan-3-yl)benzamide (CID 103863806) is 4-hydroxy-2-methyl-N-(3-methylpentan-3-yl)benzamide.
What is the SMILES notation for 4-hydroxy-2-methyl-N-(3-methylpentan-3-yl)benzamide?
The canonical SMILES for 4-hydroxy-2-methyl-N-(3-methylpentan-3-yl)benzamide is CCC(C)(CC)NC(=O)c1ccc(O)cc1C.
What is the InChIKey of 4-hydroxy-2-methyl-N-(3-methylpentan-3-yl)benzamide?
The InChIKey is TUJNMYLCNQOKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-14(4,6-2)15-13(17)12-8-7-11(16)9-10(12)3/h7-9,16H,5-6H2,1-4H3,(H,15,17).
What are the key properties of 4-hydroxy-2-methyl-N-(3-methylpentan-3-yl)benzamide?
4-hydroxy-2-methyl-N-(3-methylpentan-3-yl)benzamide has a molecular weight of 235.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-N-(3-methylpentan-3-yl)benzamide is sourced from PubChem (CID 103863806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).