N-(4-hydroxy-2-methylbutan-2-yl)-2,4-dimethylbenzamide

C14H21NO2 — CID 115869801

IUPACN-(4-hydroxy-2-methylbutan-2-yl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC(C)(C)CCO)c(C)c1
InChIInChI=1S/C14H21NO2/c1-10-5-6-12(11(2)9-10)13(17)15-14(3,4)7-8-16/h5-6,9,16H,7-8H2,1-4H3,(H,15,17)
InChIKeyOZPBWOWQUCZHPP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.19
Rot. Bonds4

About N-(4-hydroxy-2-methylbutan-2-yl)-2,4-dimethylbenzamide

N-(4-hydroxy-2-methylbutan-2-yl)-2,4-dimethylbenzamide (PubChem CID 115869801) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutan-2-yl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutan-2-yl)-2,4-dimethylbenzamide
PubChem CID115869801
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(4-hydroxy-2-methylbutan-2-yl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC(C)(C)CCO)c(C)c1
InChIInChI=1S/C14H21NO2/c1-10-5-6-12(11(2)9-10)13(17)15-14(3,4)7-8-16/h5-6,9,16H,7-8H2,1-4H3,(H,15,17)
InChIKeyOZPBWOWQUCZHPP-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-bromo-2-methylpropan-2-yl)-2,4-dimethylbenzamide
CID 114307956
2,4-dihydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 113368382
2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide
CID 113356422
2-[(2,4-dimethylbenzoyl)amino]-2-methylbutanoic acid
CID 79793464
N-(4-hydroxy-2-methylbutan-2-yl)-2-iodo-3-methylbenzamide
CID 103944788
4-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
CID 62044588
N-(1-bromo-2-phenylpropan-2-yl)-2,4-dimethylbenzamide
CID 105060041
2-chloro-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 113343249
2-bromo-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 113343240
4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115870121
2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78785997
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-hydroxy-4-methylbenzamide
CID 104579469

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-2,4-dimethylbenzamide?
The IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-2,4-dimethylbenzamide (CID 115869801) is N-(4-hydroxy-2-methylbutan-2-yl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutan-2-yl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutan-2-yl)-2,4-dimethylbenzamide is Cc1ccc(C(=O)NC(C)(C)CCO)c(C)c1.
What is the InChIKey of N-(4-hydroxy-2-methylbutan-2-yl)-2,4-dimethylbenzamide?
The InChIKey is OZPBWOWQUCZHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-5-6-12(11(2)9-10)13(17)15-14(3,4)7-8-16/h5-6,9,16H,7-8H2,1-4H3,(H,15,17).
What are the key properties of N-(4-hydroxy-2-methylbutan-2-yl)-2,4-dimethylbenzamide?
N-(4-hydroxy-2-methylbutan-2-yl)-2,4-dimethylbenzamide has a molecular weight of 235.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutan-2-yl)-2,4-dimethylbenzamide is sourced from PubChem (CID 115869801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).