4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide;2,3,3,5-tetramethylhexane

C20H34N2O3 — CID 166130917

IUPAC4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide;2,3,3,5-tetramethylhexane
SMILESCC(C)CC(C)(C)C(C)C.NC(=O)c1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C10H12N2O3.C10H22/c11-9(14)7-1-3-8(4-2-7)10(15)12-5-6-13;1-8(2)7-10(5,6)9(3)4/h1-4,13H,5-6H2,(H2,11,14)(H,12,15);8-9H,7H2,1-6H3
InChIKeyWHSJBPDAVFELDI-UHFFFAOYSA-N
MW350.50 g/mol
LogP3.22
Rot. Bonds7

About 4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide;2,3,3,5-tetramethylhexane

4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide;2,3,3,5-tetramethylhexane (PubChem CID 166130917) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is 4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide;2,3,3,5-tetramethylhexane.

Molecular Properties

Compound Name4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide;2,3,3,5-tetramethylhexane
PubChem CID166130917
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC Name4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide;2,3,3,5-tetramethylhexane
SMILESCC(C)CC(C)(C)C(C)C.NC(=O)c1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C10H12N2O3.C10H22/c11-9(14)7-1-3-8(4-2-7)10(15)12-5-6-13;1-8(2)7-10(5,6)9(3)4/h1-4,13H,5-6H2,(H2,11,14)(H,12,15);8-9H,7H2,1-6H3
InChIKeyWHSJBPDAVFELDI-UHFFFAOYSA-N
XLogP3.22
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-hydroxy-2,2-dimethylpentyl)benzene-1,4-dicarboxamide
CID 111520130
4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide
CID 103772906
4-N-(2-tert-butylsulfinylethyl)benzene-1,4-dicarboxamide
CID 119129461
ethane;N-(3-hydroxypropyl)-4-methylbenzamide;4-methylbenzamide
CID 143035952
4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide
CID 83059637
4-butan-2-yl-N-(2-hydroxyethyl)benzamide
CID 18724737
4-amino-N-(2-hydroxyethyl)benzamide;ethane;molecular hydrogen
CID 156799285
4-N-(3-hydroxypentyl)benzene-1,4-dicarboxamide
CID 115703395
4-N-(2-hydroxy-2,3-dimethylpentyl)benzene-1,4-dicarboxamide
CID 111463618
N-(2-hydroxyethyl)-4-(2-methylbutylamino)benzamide
CID 43742088
4-[(3-amino-3-methylbutanoyl)amino]-N-(2-hydroxyethyl)benzamide
CID 64683641
4-N-(3-aminopropyl)benzene-1,4-dicarboxamide
CID 11053215

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide;2,3,3,5-tetramethylhexane?
The IUPAC name of 4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide;2,3,3,5-tetramethylhexane (CID 166130917) is 4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide;2,3,3,5-tetramethylhexane.
What is the SMILES notation for 4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide;2,3,3,5-tetramethylhexane?
The canonical SMILES for 4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide;2,3,3,5-tetramethylhexane is CC(C)CC(C)(C)C(C)C.NC(=O)c1ccc(C(=O)NCCO)cc1.
What is the InChIKey of 4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide;2,3,3,5-tetramethylhexane?
The InChIKey is WHSJBPDAVFELDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3.C10H22/c11-9(14)7-1-3-8(4-2-7)10(15)12-5-6-13;1-8(2)7-10(5,6)9(3)4/h1-4,13H,5-6H2,(H2,11,14)(H,12,15);8-9H,7H2,1-6H3.
What are the key properties of 4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide;2,3,3,5-tetramethylhexane?
4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide;2,3,3,5-tetramethylhexane has a molecular weight of 350.50 g/mol, XLogP of 3.22, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide;2,3,3,5-tetramethylhexane is sourced from PubChem (CID 166130917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).