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

C16H25NO3 — CID 134534514

IUPACN-tert-butyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide
SMILESCC(C)(C)NC(=O)c1ccc(OC(C)(C)CCO)cc1
InChIInChI=1S/C16H25NO3/c1-15(2,3)17-14(19)12-6-8-13(9-7-12)20-16(4,5)10-11-18/h6-9,18H,10-11H2,1-5H3,(H,17,19)
InChIKeyXFNJTHBYCXCXRF-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.75
Rot. Bonds5

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

N-tert-butyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide (PubChem CID 134534514) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-tert-butyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide.

Molecular Properties

Compound NameN-tert-butyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide
PubChem CID134534514
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-tert-butyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide
SMILESCC(C)(C)NC(=O)c1ccc(OC(C)(C)CCO)cc1
InChIInChI=1S/C16H25NO3/c1-15(2,3)17-14(19)12-6-8-13(9-7-12)20-16(4,5)10-11-18/h6-9,18H,10-11H2,1-5H3,(H,17,19)
InChIKeyXFNJTHBYCXCXRF-UHFFFAOYSA-N
XLogP2.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[2-[4-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-3-methylbutan-1-ol
CID 142891336
3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-1-ol
CID 139638560
N-tert-butyl-4-(2-fluoroethoxy)benzamide
CID 130197731
4-butoxy-N-tert-butylbenzamide
CID 60643031
3-methyl-3-phenoxybutan-1-ol
CID 59317089
4-(2,5-dimethylhexan-2-yloxy)-N-methylbenzamide
CID 152892034
3-methyl-3-(4-methylsulfonylphenoxy)butan-1-ol
CID 139638640
4-(2-amino-2-oxoethoxy)-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115869881
4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115870121
3-methyl-3-pyridin-4-yloxybutan-1-ol
CID 139639068
3-(4-ethylsulfinylphenoxy)-3-methylbutan-1-ol
CID 139639259
methyl 4-(4-hydroxy-2-methylbutan-2-yl)oxybenzenesulfonate
CID 139638904

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide?
The IUPAC name of N-tert-butyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide (CID 134534514) is N-tert-butyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide.
What is the SMILES notation for N-tert-butyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide?
The canonical SMILES for N-tert-butyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide is CC(C)(C)NC(=O)c1ccc(OC(C)(C)CCO)cc1.
What is the InChIKey of N-tert-butyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide?
The InChIKey is XFNJTHBYCXCXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-15(2,3)17-14(19)12-6-8-13(9-7-12)20-16(4,5)10-11-18/h6-9,18H,10-11H2,1-5H3,(H,17,19).
What are the key properties of N-tert-butyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide?
N-tert-butyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide has a molecular weight of 279.38 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide is sourced from PubChem (CID 134534514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).