N'-benzyl-N-propylpropanediamide

C13H18N2O2 — CID 108940601

IUPACN'-benzyl-N-propylpropanediamide
SMILESCCCNC(=O)CC(=O)NCc1ccccc1
InChIInChI=1S/C13H18N2O2/c1-2-8-14-12(16)9-13(17)15-10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,16)(H,15,17)
InChIKeyMDSPLSNCVFLANK-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.22
Rot. Bonds6

About N'-benzyl-N-propylpropanediamide

N'-benzyl-N-propylpropanediamide (PubChem CID 108940601) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N'-benzyl-N-propylpropanediamide.

Molecular Properties

Compound NameN'-benzyl-N-propylpropanediamide
PubChem CID108940601
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN'-benzyl-N-propylpropanediamide
SMILESCCCNC(=O)CC(=O)NCc1ccccc1
InChIInChI=1S/C13H18N2O2/c1-2-8-14-12(16)9-13(17)15-10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,16)(H,15,17)
InChIKeyMDSPLSNCVFLANK-UHFFFAOYSA-N
XLogP1.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-benzyl-N-propylpropanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-3-oxopentanamide
CID 10632061
benzene;molecular hydrogen;2-phenyl-N-propylacetamide
CID 144955399
N-benzyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide
CID 111225373
bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide
CID 175085430
1-benzyl-3-propylthiourea
CID 12725927
N-benzylundecanamide
CID 5078198
N-benzyl-N'-(2-ethylphenyl)propanediamide
CID 108945270
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
N-(2-phenylethyl)-2-(propylamino)acetamide
CID 54818782
N-[2-(benzylamino)ethyl]propanamide
CID 54513126
N-benzyl-2-isocyanoacetamide;ethane
CID 91010012
N-benzyl-2-(2-phenylethylamino)acetamide
CID 28829660

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-propylpropanediamide?
The IUPAC name of N'-benzyl-N-propylpropanediamide (CID 108940601) is N'-benzyl-N-propylpropanediamide.
What is the SMILES notation for N'-benzyl-N-propylpropanediamide?
The canonical SMILES for N'-benzyl-N-propylpropanediamide is CCCNC(=O)CC(=O)NCc1ccccc1.
What is the InChIKey of N'-benzyl-N-propylpropanediamide?
The InChIKey is MDSPLSNCVFLANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-8-14-12(16)9-13(17)15-10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N'-benzyl-N-propylpropanediamide?
N'-benzyl-N-propylpropanediamide has a molecular weight of 234.30 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-propylpropanediamide is sourced from PubChem (CID 108940601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).