4-hydroxy-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide

C16H25NO2 — CID 103955509

IUPAC4-hydroxy-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
SMILESCc1cc(C(=O)NC(C)(C)CC(C)(C)C)ccc1O
InChIInChI=1S/C16H25NO2/c1-11-9-12(7-8-13(11)18)14(19)17-16(5,6)10-15(2,3)4/h7-9,18H,10H2,1-6H3,(H,17,19)
InChIKeyRDCVYAXNKXVNCK-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.65
Rot. Bonds3

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

4-hydroxy-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide (PubChem CID 103955509) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide.

Molecular Properties

Compound Name4-hydroxy-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
PubChem CID103955509
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-hydroxy-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
SMILESCc1cc(C(=O)NC(C)(C)CC(C)(C)C)ccc1O
InChIInChI=1S/C16H25NO2/c1-11-9-12(7-8-13(11)18)14(19)17-16(5,6)10-15(2,3)4/h7-9,18H,10H2,1-6H3,(H,17,19)
InChIKeyRDCVYAXNKXVNCK-UHFFFAOYSA-N
XLogP3.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbenzamide
CID 103957694
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-hydroxy-3-methylbenzamide
CID 114008304
4-tert-butyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 974128
N-(2-cyanopropan-2-yl)-4-hydroxy-3-methylbenzamide
CID 103957007
4-amino-3-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 62682424
4-bromo-3-chloro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 81307457
N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614845
N-(1-amino-2-cyclopropylpropan-2-yl)-4-hydroxy-3-methylbenzamide
CID 107672234
2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 54943331
N-(4-amino-2-methylbutan-2-yl)-3,4-dihydroxybenzamide
CID 107727561
N-(3-bromo-2,2-dimethylpropyl)-4-hydroxy-3-methylbenzamide
CID 107673135
4-(propanoylamino)-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 17257385

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The IUPAC name of 4-hydroxy-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide (CID 103955509) is 4-hydroxy-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide.
What is the SMILES notation for 4-hydroxy-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The canonical SMILES for 4-hydroxy-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide is Cc1cc(C(=O)NC(C)(C)CC(C)(C)C)ccc1O.
What is the InChIKey of 4-hydroxy-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The InChIKey is RDCVYAXNKXVNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-9-12(7-8-13(11)18)14(19)17-16(5,6)10-15(2,3)4/h7-9,18H,10H2,1-6H3,(H,17,19).
What are the key properties of 4-hydroxy-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide?
4-hydroxy-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide has a molecular weight of 263.38 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide is sourced from PubChem (CID 103955509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).