1-N,3-N-dibutylbenzene-1,3-dicarboxamide

C16H24N2O2 — CID 2164314

IUPAC1-N,3-N-dibutylbenzene-1,3-dicarboxamide
SMILESCCCCNC(=O)c1cccc(C(=O)NCCCC)c1
InChIInChI=1S/C16H24N2O2/c1-3-5-10-17-15(19)13-8-7-9-14(12-13)16(20)18-11-6-4-2/h7-9,12H,3-6,10-11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyUEUJQJBBZXOQII-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.75
Rot. Bonds8

About 1-N,3-N-dibutylbenzene-1,3-dicarboxamide

1-N,3-N-dibutylbenzene-1,3-dicarboxamide (PubChem CID 2164314) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-N,3-N-dibutylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-dibutylbenzene-1,3-dicarboxamide
PubChem CID2164314
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-N,3-N-dibutylbenzene-1,3-dicarboxamide
SMILESCCCCNC(=O)c1cccc(C(=O)NCCCC)c1
InChIInChI=1S/C16H24N2O2/c1-3-5-10-17-15(19)13-8-7-9-14(12-13)16(20)18-11-6-4-2/h7-9,12H,3-6,10-11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyUEUJQJBBZXOQII-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dibutylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-dibutylbenzene-1,3-dicarboxamide (CID 2164314) is 1-N,3-N-dibutylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-dibutylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-dibutylbenzene-1,3-dicarboxamide is CCCCNC(=O)c1cccc(C(=O)NCCCC)c1.
What is the InChIKey of 1-N,3-N-dibutylbenzene-1,3-dicarboxamide?
The InChIKey is UEUJQJBBZXOQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-5-10-17-15(19)13-8-7-9-14(12-13)16(20)18-11-6-4-2/h7-9,12H,3-6,10-11H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 1-N,3-N-dibutylbenzene-1,3-dicarboxamide?
1-N,3-N-dibutylbenzene-1,3-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,3-N-dibutylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 2164314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).