2-methyl-N,N'-diphenylpropanediamide

C16H16N2O2 — CID 832561

IUPAC2-methyl-N,N'-diphenylpropanediamide
SMILESCC(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H16N2O2/c1-12(15(19)17-13-8-4-2-5-9-13)16(20)18-14-10-6-3-7-11-14/h2-12H,1H3,(H,17,19)(H,18,20)
InChIKeyYFMSXISDQGLRJM-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.90
Rot. Bonds4

About 2-methyl-N,N'-diphenylpropanediamide

2-methyl-N,N'-diphenylpropanediamide (PubChem CID 832561) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-methyl-N,N'-diphenylpropanediamide.

Molecular Properties

Compound Name2-methyl-N,N'-diphenylpropanediamide
PubChem CID832561
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-methyl-N,N'-diphenylpropanediamide
SMILESCC(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H16N2O2/c1-12(15(19)17-13-8-4-2-5-9-13)16(20)18-14-10-6-3-7-11-14/h2-12H,1H3,(H,17,19)(H,18,20)
InChIKeyYFMSXISDQGLRJM-UHFFFAOYSA-N
XLogP2.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.90
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,N'-diphenylpropanediamide?
The IUPAC name of 2-methyl-N,N'-diphenylpropanediamide (CID 832561) is 2-methyl-N,N'-diphenylpropanediamide.
What is the SMILES notation for 2-methyl-N,N'-diphenylpropanediamide?
The canonical SMILES for 2-methyl-N,N'-diphenylpropanediamide is CC(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-methyl-N,N'-diphenylpropanediamide?
The InChIKey is YFMSXISDQGLRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-12(15(19)17-13-8-4-2-5-9-13)16(20)18-14-10-6-3-7-11-14/h2-12H,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-methyl-N,N'-diphenylpropanediamide?
2-methyl-N,N'-diphenylpropanediamide has a molecular weight of 268.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N'-diphenylpropanediamide is sourced from PubChem (CID 832561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).