4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide

C16H25NO2 — CID 115870121

IUPAC4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
SMILESCC(C)(CCO)NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-15(2,3)13-8-6-12(7-9-13)14(19)17-16(4,5)10-11-18/h6-9,18H,10-11H2,1-5H3,(H,17,19)
InChIKeyMACPUDCJBBGTOQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.87
Rot. Bonds4

About 4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide

4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide (PubChem CID 115870121) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
PubChem CID115870121
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
SMILESCC(C)(CCO)NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-15(2,3)13-8-6-12(7-9-13)14(19)17-16(4,5)10-11-18/h6-9,18H,10-11H2,1-5H3,(H,17,19)
InChIKeyMACPUDCJBBGTOQ-UHFFFAOYSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(carbamoylamino)-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115969000
4-tert-butyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 974128
4-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115968785
4-(2-amino-2-oxoethoxy)-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115869881
N-(4-hydroxy-2-methylbutan-2-yl)furan-3-carboxamide
CID 115869863
4-chloro-N-(5-hydroxy-2-methylpentan-2-yl)benzamide
CID 136573165
6-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide
CID 115968711
2,6-dichloro-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide
CID 115969021
2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide
CID 115870175
4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid
CID 62041548
N-(4-hydroxy-2-methylbutan-2-yl)-2,4-dimethylbenzamide
CID 115869801
N-[2-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]benzamide
CID 115869842

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide (CID 115870121) is 4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide is CC(C)(CCO)NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide?
The InChIKey is MACPUDCJBBGTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-15(2,3)13-8-6-12(7-9-13)14(19)17-16(4,5)10-11-18/h6-9,18H,10-11H2,1-5H3,(H,17,19).
What are the key properties of 4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide?
4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide has a molecular weight of 263.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 115870121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).