1-N,2-N-dibutylbenzene-1,2-dicarboxamide

C16H24N2O2 — CID 2294629

IUPAC1-N,2-N-dibutylbenzene-1,2-dicarboxamide
SMILESCCCCNC(=O)c1ccccc1C(=O)NCCCC
InChIInChI=1S/C16H24N2O2/c1-3-5-11-17-15(19)13-9-7-8-10-14(13)16(20)18-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyCALJQXBUHJNONT-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.75
Rot. Bonds8

About 1-N,2-N-dibutylbenzene-1,2-dicarboxamide

1-N,2-N-dibutylbenzene-1,2-dicarboxamide (PubChem CID 2294629) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-N,2-N-dibutylbenzene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,2-N-dibutylbenzene-1,2-dicarboxamide
PubChem CID2294629
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-N,2-N-dibutylbenzene-1,2-dicarboxamide
SMILESCCCCNC(=O)c1ccccc1C(=O)NCCCC
InChIInChI=1S/C16H24N2O2/c1-3-5-11-17-15(19)13-9-7-8-10-14(13)16(20)18-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyCALJQXBUHJNONT-UHFFFAOYSA-N
XLogP2.75
TPSA58.20 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 ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-N,2-N-dibutylbenzene-1,2-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Methylbenzamide
CID 11954
Phthalamide
CID 6956
2-Methylhippuric Acid
CID 91637
1(2H)-Isoquinolinone
CID 10284
Phthalimidine
CID 10199
Melinamide
CID 20054967
2-Methyl-N,N-diethylbenzamide
CID 75945
N-Propylbenzamide
CID 25354
N-Butylphthalimide
CID 73812
N-(Phenylmethyl)hexadecanamide
CID 11198769
Amylase
CID 71475145
N-Ethylbenzamide
CID 11959

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dibutylbenzene-1,2-dicarboxamide?
The IUPAC name of 1-N,2-N-dibutylbenzene-1,2-dicarboxamide (CID 2294629) is 1-N,2-N-dibutylbenzene-1,2-dicarboxamide.
What is the SMILES notation for 1-N,2-N-dibutylbenzene-1,2-dicarboxamide?
The canonical SMILES for 1-N,2-N-dibutylbenzene-1,2-dicarboxamide is CCCCNC(=O)c1ccccc1C(=O)NCCCC.
What is the InChIKey of 1-N,2-N-dibutylbenzene-1,2-dicarboxamide?
The InChIKey is CALJQXBUHJNONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-5-11-17-15(19)13-9-7-8-10-14(13)16(20)18-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 1-N,2-N-dibutylbenzene-1,2-dicarboxamide?
1-N,2-N-dibutylbenzene-1,2-dicarboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dibutylbenzene-1,2-dicarboxamide is sourced from PubChem (CID 2294629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).