benzene-1,4-dicarboxamide;2,4-dimethylbenzene-1,3-diamine

C16H20N4O2 — CID 70386700

IUPACbenzene-1,4-dicarboxamide;2,4-dimethylbenzene-1,3-diamine
SMILESCc1ccc(N)c(C)c1N.NC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C8H8N2O2.C8H12N2/c9-7(11)5-1-2-6(4-3-5)8(10)12;1-5-3-4-7(9)6(2)8(5)10/h1-4H,(H2,9,11)(H2,10,12);3-4H,9-10H2,1-2H3
InChIKeyHNKAUMXVSRTERQ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.35
Rot. Bonds2

About benzene-1,4-dicarboxamide;2,4-dimethylbenzene-1,3-diamine

benzene-1,4-dicarboxamide;2,4-dimethylbenzene-1,3-diamine (PubChem CID 70386700) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is benzene-1,4-dicarboxamide;2,4-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Namebenzene-1,4-dicarboxamide;2,4-dimethylbenzene-1,3-diamine
PubChem CID70386700
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Namebenzene-1,4-dicarboxamide;2,4-dimethylbenzene-1,3-diamine
SMILESCc1ccc(N)c(C)c1N.NC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C8H8N2O2.C8H12N2/c9-7(11)5-1-2-6(4-3-5)8(10)12;1-5-3-4-7(9)6(2)8(5)10/h1-4H,(H2,9,11)(H2,10,12);3-4H,9-10H2,1-2H3
InChIKeyHNKAUMXVSRTERQ-UHFFFAOYSA-N
XLogP1.35
TPSA138.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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4-acetamido-N-(2,6-dimethylphenyl)-3-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of benzene-1,4-dicarboxamide;2,4-dimethylbenzene-1,3-diamine?
The IUPAC name of benzene-1,4-dicarboxamide;2,4-dimethylbenzene-1,3-diamine (CID 70386700) is benzene-1,4-dicarboxamide;2,4-dimethylbenzene-1,3-diamine.
What is the SMILES notation for benzene-1,4-dicarboxamide;2,4-dimethylbenzene-1,3-diamine?
The canonical SMILES for benzene-1,4-dicarboxamide;2,4-dimethylbenzene-1,3-diamine is Cc1ccc(N)c(C)c1N.NC(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of benzene-1,4-dicarboxamide;2,4-dimethylbenzene-1,3-diamine?
The InChIKey is HNKAUMXVSRTERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2.C8H12N2/c9-7(11)5-1-2-6(4-3-5)8(10)12;1-5-3-4-7(9)6(2)8(5)10/h1-4H,(H2,9,11)(H2,10,12);3-4H,9-10H2,1-2H3.
What are the key properties of benzene-1,4-dicarboxamide;2,4-dimethylbenzene-1,3-diamine?
benzene-1,4-dicarboxamide;2,4-dimethylbenzene-1,3-diamine has a molecular weight of 300.36 g/mol, XLogP of 1.35, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-dicarboxamide;2,4-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 70386700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).