4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide

C14H20N2O3 — CID 103772906

IUPAC4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide
SMILESCC(C)(CCO)CNC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C14H20N2O3/c1-14(2,7-8-17)9-16-13(19)11-5-3-10(4-6-11)12(15)18/h3-6,17H,7-9H2,1-2H3,(H2,15,18)(H,16,19)
InChIKeyUIQBASVQNHUOEM-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.92
Rot. Bonds6

About 4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide

4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide (PubChem CID 103772906) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide
PubChem CID103772906
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide
SMILESCC(C)(CCO)CNC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C14H20N2O3/c1-14(2,7-8-17)9-16-13(19)11-5-3-10(4-6-11)12(15)18/h3-6,17H,7-9H2,1-2H3,(H2,15,18)(H,16,19)
InChIKeyUIQBASVQNHUOEM-UHFFFAOYSA-N
XLogP0.92
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 106147923
N-(4-hydroxy-2,2-dimethylbutyl)-4-(methoxymethyl)benzamide
CID 103772341
4-[(dimethylamino)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103825036
4-N-(4-hydroxy-2,2-dimethylpentyl)benzene-1,4-dicarboxamide
CID 111520130
N-(4-hydroxy-2,2-dimethylbutyl)-4-(methylsulfonylmethyl)benzamide
CID 103772293
4-chloro-N-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-oxoethyl]benzamide
CID 103825506
N-(4-hydroxy-2,2-dimethylbutyl)pyrimidine-5-carboxamide
CID 104629634
N-(4-hydroxy-2,2-dimethylbutyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 103824963
4-[(4-carbamoylbenzoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66003486
N-(4-amino-2,2-dimethylbutyl)-4-ethylbenzamide
CID 114148877
3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772540
6-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-carboxamide
CID 103705247

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide (CID 103772906) is 4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide is CC(C)(CCO)CNC(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide?
The InChIKey is UIQBASVQNHUOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,7-8-17)9-16-13(19)11-5-3-10(4-6-11)12(15)18/h3-6,17H,7-9H2,1-2H3,(H2,15,18)(H,16,19).
What are the key properties of 4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide?
4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide has a molecular weight of 264.32 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 103772906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).