3,4-dibutylbenzene-1,2-dicarboxamide

C16H24N2O2 — CID 175393546

IUPAC3,4-dibutylbenzene-1,2-dicarboxamide
SMILESCCCCc1ccc(C(N)=O)c(C(N)=O)c1CCCC
InChIInChI=1S/C16H24N2O2/c1-3-5-7-11-9-10-13(15(17)19)14(16(18)20)12(11)8-6-4-2/h9-10H,3-8H2,1-2H3,(H2,17,19)(H2,18,20)
InChIKeyRUOVDJISQVGMKD-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.57
Rot. Bonds8

About 3,4-dibutylbenzene-1,2-dicarboxamide

3,4-dibutylbenzene-1,2-dicarboxamide (PubChem CID 175393546) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3,4-dibutylbenzene-1,2-dicarboxamide.

Molecular Properties

Compound Name3,4-dibutylbenzene-1,2-dicarboxamide
PubChem CID175393546
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3,4-dibutylbenzene-1,2-dicarboxamide
SMILESCCCCc1ccc(C(N)=O)c(C(N)=O)c1CCCC
InChIInChI=1S/C16H24N2O2/c1-3-5-7-11-9-10-13(15(17)19)14(16(18)20)12(11)8-6-4-2/h9-10H,3-8H2,1-2H3,(H2,17,19)(H2,18,20)
InChIKeyRUOVDJISQVGMKD-UHFFFAOYSA-N
XLogP2.57
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-decylbenzene-1,2,4,5-tetracarboxamide
CID 175294645
3-carbamoyl-2,6-dioctadecylbenzoic acid
CID 68723521
2-phosphanyl-1-(2,3,4-tributylphenyl)ethanone
CID 175045798
3,4-dibutylphthalic acid;silicic acid
CID 67175411
bis(3,4-dibutylphthalic acid);3,4-di(nonyl)phthalic acid
CID 87150790
iron;1-(2,3,4-tributylphenyl)ethanone
CID 70631281
3-nonyl-4-octylphthalic acid
CID 54095595
2-butylbenzamide
CID 15468173
2,4-dibutylbenzene-1,3-dicarboxylic acid
CID 23617934
1,2,3,4-tetrabutylbenzene
CID 11220391
2,4-bis(4-aminobutyl)benzene-1,3-dicarboxamide
CID 19913242
4-heptyl-2-octyl-3-(trifluoromethyl)benzamide
CID 57359737

Frequently Asked Questions

What is the IUPAC name of 3,4-dibutylbenzene-1,2-dicarboxamide?
The IUPAC name of 3,4-dibutylbenzene-1,2-dicarboxamide (CID 175393546) is 3,4-dibutylbenzene-1,2-dicarboxamide.
What is the SMILES notation for 3,4-dibutylbenzene-1,2-dicarboxamide?
The canonical SMILES for 3,4-dibutylbenzene-1,2-dicarboxamide is CCCCc1ccc(C(N)=O)c(C(N)=O)c1CCCC.
What is the InChIKey of 3,4-dibutylbenzene-1,2-dicarboxamide?
The InChIKey is RUOVDJISQVGMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-5-7-11-9-10-13(15(17)19)14(16(18)20)12(11)8-6-4-2/h9-10H,3-8H2,1-2H3,(H2,17,19)(H2,18,20).
What are the key properties of 3,4-dibutylbenzene-1,2-dicarboxamide?
3,4-dibutylbenzene-1,2-dicarboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibutylbenzene-1,2-dicarboxamide is sourced from PubChem (CID 175393546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).