2-ethyl-N,N'-bis(1-phenylethyl)propanediamide

C21H26N2O2 — CID 3791937

IUPAC2-ethyl-N,N'-bis(1-phenylethyl)propanediamide
SMILESCCC(C(=O)NC(C)c1ccccc1)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-4-19(20(24)22-15(2)17-11-7-5-8-12-17)21(25)23-16(3)18-13-9-6-10-14-18/h5-16,19H,4H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyHQYXRRIFBOWPJS-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.77
Rot. Bonds7

About 2-ethyl-N,N'-bis(1-phenylethyl)propanediamide

2-ethyl-N,N'-bis(1-phenylethyl)propanediamide (PubChem CID 3791937) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-ethyl-N,N'-bis(1-phenylethyl)propanediamide.

Molecular Properties

Compound Name2-ethyl-N,N'-bis(1-phenylethyl)propanediamide
PubChem CID3791937
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-ethyl-N,N'-bis(1-phenylethyl)propanediamide
SMILESCCC(C(=O)NC(C)c1ccccc1)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-4-19(20(24)22-15(2)17-11-7-5-8-12-17)21(25)23-16(3)18-13-9-6-10-14-18/h5-16,19H,4H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyHQYXRRIFBOWPJS-UHFFFAOYSA-N
XLogP3.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.77
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-ethyl-N,N'-bis(1-phenylethyl)propanediamide?
The IUPAC name of 2-ethyl-N,N'-bis(1-phenylethyl)propanediamide (CID 3791937) is 2-ethyl-N,N'-bis(1-phenylethyl)propanediamide.
What is the SMILES notation for 2-ethyl-N,N'-bis(1-phenylethyl)propanediamide?
The canonical SMILES for 2-ethyl-N,N'-bis(1-phenylethyl)propanediamide is CCC(C(=O)NC(C)c1ccccc1)C(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-ethyl-N,N'-bis(1-phenylethyl)propanediamide?
The InChIKey is HQYXRRIFBOWPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-4-19(20(24)22-15(2)17-11-7-5-8-12-17)21(25)23-16(3)18-13-9-6-10-14-18/h5-16,19H,4H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 2-ethyl-N,N'-bis(1-phenylethyl)propanediamide?
2-ethyl-N,N'-bis(1-phenylethyl)propanediamide has a molecular weight of 338.45 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N'-bis(1-phenylethyl)propanediamide is sourced from PubChem (CID 3791937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).