2-benzylpropanediamide

C10H12N2O2 — CID 4163944

IUPAC2-benzylpropanediamide
SMILESNC(=O)C(Cc1ccccc1)C(N)=O
InChIInChI=1S/C10H12N2O2/c11-9(13)8(10(12)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,13)(H2,12,14)
InChIKeyRBRUESIJXFRMJA-UHFFFAOYSA-N
MW192.22 g/mol
LogP-0.18
Rot. Bonds4

About 2-benzylpropanediamide

2-benzylpropanediamide (PubChem CID 4163944) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-benzylpropanediamide.

Molecular Properties

Compound Name2-benzylpropanediamide
PubChem CID4163944
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-benzylpropanediamide
SMILESNC(=O)C(Cc1ccccc1)C(N)=O
InChIInChI=1S/C10H12N2O2/c11-9(13)8(10(12)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,13)(H2,12,14)
InChIKeyRBRUESIJXFRMJA-UHFFFAOYSA-N
XLogP-0.18
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-benzylpropanediamide 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 2-benzylpropanediamide?
The IUPAC name of 2-benzylpropanediamide (CID 4163944) is 2-benzylpropanediamide.
What is the SMILES notation for 2-benzylpropanediamide?
The canonical SMILES for 2-benzylpropanediamide is NC(=O)C(Cc1ccccc1)C(N)=O.
What is the InChIKey of 2-benzylpropanediamide?
The InChIKey is RBRUESIJXFRMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-9(13)8(10(12)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,13)(H2,12,14).
What are the key properties of 2-benzylpropanediamide?
2-benzylpropanediamide has a molecular weight of 192.22 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylpropanediamide is sourced from PubChem (CID 4163944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).