1-N,2-N-dipropylbenzene-1,2-dicarboxamide

C14H20N2O2 — CID 2304653

IUPAC1-N,2-N-dipropylbenzene-1,2-dicarboxamide
SMILESCCCNC(=O)c1ccccc1C(=O)NCCC
InChIInChI=1S/C14H20N2O2/c1-3-9-15-13(17)11-7-5-6-8-12(11)14(18)16-10-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyNBVXHUJPWXFFLT-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.97
Rot. Bonds6

About 1-N,2-N-dipropylbenzene-1,2-dicarboxamide

1-N,2-N-dipropylbenzene-1,2-dicarboxamide (PubChem CID 2304653) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-N,2-N-dipropylbenzene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,2-N-dipropylbenzene-1,2-dicarboxamide
PubChem CID2304653
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-N,2-N-dipropylbenzene-1,2-dicarboxamide
SMILESCCCNC(=O)c1ccccc1C(=O)NCCC
InChIInChI=1S/C14H20N2O2/c1-3-9-15-13(17)11-7-5-6-8-12(11)14(18)16-10-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyNBVXHUJPWXFFLT-UHFFFAOYSA-N
XLogP1.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N,2-N-dipropylbenzene-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

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dipropylbenzene-1,2-dicarboxamide?
The IUPAC name of 1-N,2-N-dipropylbenzene-1,2-dicarboxamide (CID 2304653) is 1-N,2-N-dipropylbenzene-1,2-dicarboxamide.
What is the SMILES notation for 1-N,2-N-dipropylbenzene-1,2-dicarboxamide?
The canonical SMILES for 1-N,2-N-dipropylbenzene-1,2-dicarboxamide is CCCNC(=O)c1ccccc1C(=O)NCCC.
What is the InChIKey of 1-N,2-N-dipropylbenzene-1,2-dicarboxamide?
The InChIKey is NBVXHUJPWXFFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-9-15-13(17)11-7-5-6-8-12(11)14(18)16-10-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 1-N,2-N-dipropylbenzene-1,2-dicarboxamide?
1-N,2-N-dipropylbenzene-1,2-dicarboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dipropylbenzene-1,2-dicarboxamide is sourced from PubChem (CID 2304653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).