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

C16H25NO2 — CID 115968785

IUPAC4-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
SMILESCCCCc1ccc(C(=O)NC(C)(C)CCO)cc1
InChIInChI=1S/C16H25NO2/c1-4-5-6-13-7-9-14(10-8-13)15(19)17-16(2,3)11-12-18/h7-10,18H,4-6,11-12H2,1-3H3,(H,17,19)
InChIKeyXJBWIMJBNWUCJR-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.92
Rot. Bonds7

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

4-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide (PubChem CID 115968785) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
PubChem CID115968785
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
SMILESCCCCc1ccc(C(=O)NC(C)(C)CCO)cc1
InChIInChI=1S/C16H25NO2/c1-4-5-6-13-7-9-14(10-8-13)15(19)17-16(2,3)11-12-18/h7-10,18H,4-6,11-12H2,1-3H3,(H,17,19)
InChIKeyXJBWIMJBNWUCJR-UHFFFAOYSA-N
XLogP2.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115870121
4-butyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
CID 104630211
2-methyl-2-[(4-pentylbenzoyl)amino]propanoic acid
CID 167119423
4-(carbamoylamino)-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115969000
4-chloro-N-(5-hydroxy-2-methylpentan-2-yl)benzamide
CID 136573165
4-butylbenzoic acid;zinc
CID 175174767
CID 69445910
CID 69445910
3-amino-3-(4-butylphenyl)butan-1-ol
CID 112513147
4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid
CID 62041548
4-(2-amino-2-oxoethoxy)-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115869881
4-butyl-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
CID 106251909
1-(4-butylphenyl)-2-hydroxyethanone
CID 95436919

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide?
The IUPAC name of 4-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide (CID 115968785) is 4-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide is CCCCc1ccc(C(=O)NC(C)(C)CCO)cc1.
What is the InChIKey of 4-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide?
The InChIKey is XJBWIMJBNWUCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-5-6-13-7-9-14(10-8-13)15(19)17-16(2,3)11-12-18/h7-10,18H,4-6,11-12H2,1-3H3,(H,17,19).
What are the key properties of 4-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide?
4-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide has a molecular weight of 263.38 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 115968785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).