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

C15H22N2O3 — CID 111520130

IUPAC4-N-(4-hydroxy-2,2-dimethylpentyl)benzene-1,4-dicarboxamide
SMILESCC(O)CC(C)(C)CNC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C15H22N2O3/c1-10(18)8-15(2,3)9-17-14(20)12-6-4-11(5-7-12)13(16)19/h4-7,10,18H,8-9H2,1-3H3,(H2,16,19)(H,17,20)
InChIKeyWQEXOCWRDADGSF-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.31
Rot. Bonds6

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

4-N-(4-hydroxy-2,2-dimethylpentyl)benzene-1,4-dicarboxamide (PubChem CID 111520130) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-N-(4-hydroxy-2,2-dimethylpentyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-hydroxy-2,2-dimethylpentyl)benzene-1,4-dicarboxamide
PubChem CID111520130
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-N-(4-hydroxy-2,2-dimethylpentyl)benzene-1,4-dicarboxamide
SMILESCC(O)CC(C)(C)CNC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C15H22N2O3/c1-10(18)8-15(2,3)9-17-14(20)12-6-4-11(5-7-12)13(16)19/h4-7,10,18H,8-9H2,1-3H3,(H2,16,19)(H,17,20)
InChIKeyWQEXOCWRDADGSF-UHFFFAOYSA-N
XLogP1.31
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-2,2-dimethylpentyl)-4-phenylbenzamide
CID 111480227
4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide
CID 103772906
4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide
CID 83059637
N-(4-hydroxy-2,2-dimethylpentyl)-4-prop-2-ynoxybenzamide
CID 111479961
6-ethylsulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide
CID 111480193
4-N-(2-hydroxy-2,3-dimethylpentyl)benzene-1,4-dicarboxamide
CID 111463618
N-(4-hydroxy-2,2-dimethylpentyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 111480504
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-hydroxy-2,2-dimethylpentyl)benzamide
CID 111480687
N-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide
CID 115365755
N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 111480307
N-(4-hydroxy-2,2-dimethylpentyl)quinoline-6-carboxamide
CID 111480649
4-[(4-carbamoylbenzoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66003486

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-hydroxy-2,2-dimethylpentyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-hydroxy-2,2-dimethylpentyl)benzene-1,4-dicarboxamide (CID 111520130) is 4-N-(4-hydroxy-2,2-dimethylpentyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-hydroxy-2,2-dimethylpentyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-hydroxy-2,2-dimethylpentyl)benzene-1,4-dicarboxamide is CC(O)CC(C)(C)CNC(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-N-(4-hydroxy-2,2-dimethylpentyl)benzene-1,4-dicarboxamide?
The InChIKey is WQEXOCWRDADGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(18)8-15(2,3)9-17-14(20)12-6-4-11(5-7-12)13(16)19/h4-7,10,18H,8-9H2,1-3H3,(H2,16,19)(H,17,20).
What are the key properties of 4-N-(4-hydroxy-2,2-dimethylpentyl)benzene-1,4-dicarboxamide?
4-N-(4-hydroxy-2,2-dimethylpentyl)benzene-1,4-dicarboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.31, 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-dimethylpentyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 111520130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).