5-formyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

C15H20N2O3 — CID 142195355

IUPAC5-formyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cc(C=O)cc(C(N)=O)c1
InChIInChI=1S/C15H20N2O3/c1-3-5-17(6-4-2)15(20)13-8-11(10-18)7-12(9-13)14(16)19/h7-10H,3-6H2,1-2H3,(H2,16,19)
InChIKeyXUCMURYIKKWMEL-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.86
Rot. Bonds7

About 5-formyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

5-formyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (PubChem CID 142195355) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-formyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-formyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
PubChem CID142195355
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name5-formyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cc(C=O)cc(C(N)=O)c1
InChIInChI=1S/C15H20N2O3/c1-3-5-17(6-4-2)15(20)13-8-11(10-18)7-12(9-13)14(16)19/h7-10H,3-6H2,1-2H3,(H2,16,19)
InChIKeyXUCMURYIKKWMEL-UHFFFAOYSA-N
XLogP1.86
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-formyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The IUPAC name of 5-formyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (CID 142195355) is 5-formyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 5-formyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The canonical SMILES for 5-formyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is CCCN(CCC)C(=O)c1cc(C=O)cc(C(N)=O)c1.
What is the InChIKey of 5-formyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The InChIKey is XUCMURYIKKWMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-5-17(6-4-2)15(20)13-8-11(10-18)7-12(9-13)14(16)19/h7-10H,3-6H2,1-2H3,(H2,16,19).
What are the key properties of 5-formyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
5-formyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 142195355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).