N,N'-bis(2-methylphenyl)propanediamide

C17H18N2O2 — CID 854344

IUPACN,N'-bis(2-methylphenyl)propanediamide
SMILESCc1ccccc1NC(=O)CC(=O)Nc1ccccc1C
InChIInChI=1S/C17H18N2O2/c1-12-7-3-5-9-14(12)18-16(20)11-17(21)19-15-10-6-4-8-13(15)2/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyGSHUBUJGAXACFN-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.27
Rot. Bonds4

About N,N'-bis(2-methylphenyl)propanediamide

N,N'-bis(2-methylphenyl)propanediamide (PubChem CID 854344) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N,N'-bis(2-methylphenyl)propanediamide.

Molecular Properties

Compound NameN,N'-bis(2-methylphenyl)propanediamide
PubChem CID854344
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN,N'-bis(2-methylphenyl)propanediamide
SMILESCc1ccccc1NC(=O)CC(=O)Nc1ccccc1C
InChIInChI=1S/C17H18N2O2/c1-12-7-3-5-9-14(12)18-16(20)11-17(21)19-15-10-6-4-8-13(15)2/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyGSHUBUJGAXACFN-UHFFFAOYSA-N
XLogP3.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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CID 6038
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N,N'-Diacetylbenzidine
CID 11942
N-Acetyl-4-aminobiphenyl
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2'-Methylacetoacetanilide
CID 7154
4-Methylquinolin-2-ol
CID 69088
N-Acetyl-2,6-xylidine
CID 16616
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CID 16303
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CID 222464
Acetylbenzidine
CID 18787

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-methylphenyl)propanediamide?
The IUPAC name of N,N'-bis(2-methylphenyl)propanediamide (CID 854344) is N,N'-bis(2-methylphenyl)propanediamide.
What is the SMILES notation for N,N'-bis(2-methylphenyl)propanediamide?
The canonical SMILES for N,N'-bis(2-methylphenyl)propanediamide is Cc1ccccc1NC(=O)CC(=O)Nc1ccccc1C.
What is the InChIKey of N,N'-bis(2-methylphenyl)propanediamide?
The InChIKey is GSHUBUJGAXACFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-7-3-5-9-14(12)18-16(20)11-17(21)19-15-10-6-4-8-13(15)2/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N,N'-bis(2-methylphenyl)propanediamide?
N,N'-bis(2-methylphenyl)propanediamide has a molecular weight of 282.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-methylphenyl)propanediamide is sourced from PubChem (CID 854344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).