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

C19H22N2O2 — CID 2404841

IUPACN,N'-bis(2-phenylethyl)propanediamide
SMILESO=C(CC(=O)NCCc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C19H22N2O2/c22-18(20-13-11-16-7-3-1-4-8-16)15-19(23)21-14-12-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,20,22)(H,21,23)
InChIKeyRUHYVHRJAHLOLR-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.09
Rot. Bonds8

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

N,N'-bis(2-phenylethyl)propanediamide (PubChem CID 2404841) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N,N'-bis(2-phenylethyl)propanediamide.

Molecular Properties

Compound NameN,N'-bis(2-phenylethyl)propanediamide
PubChem CID2404841
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN,N'-bis(2-phenylethyl)propanediamide
SMILESO=C(CC(=O)NCCc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C19H22N2O2/c22-18(20-13-11-16-7-3-1-4-8-16)15-19(23)21-14-12-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,20,22)(H,21,23)
InChIKeyRUHYVHRJAHLOLR-UHFFFAOYSA-N
XLogP2.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.09
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 N,N'-bis(2-phenylethyl)propanediamide?
The IUPAC name of N,N'-bis(2-phenylethyl)propanediamide (CID 2404841) is N,N'-bis(2-phenylethyl)propanediamide.
What is the SMILES notation for N,N'-bis(2-phenylethyl)propanediamide?
The canonical SMILES for N,N'-bis(2-phenylethyl)propanediamide is O=C(CC(=O)NCCc1ccccc1)NCCc1ccccc1.
What is the InChIKey of N,N'-bis(2-phenylethyl)propanediamide?
The InChIKey is RUHYVHRJAHLOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-18(20-13-11-16-7-3-1-4-8-16)15-19(23)21-14-12-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,20,22)(H,21,23).
What are the key properties of N,N'-bis(2-phenylethyl)propanediamide?
N,N'-bis(2-phenylethyl)propanediamide has a molecular weight of 310.40 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-phenylethyl)propanediamide is sourced from PubChem (CID 2404841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).