2-(3,3-diphenylpropanoylamino)propanediamide

C18H19N3O3 — CID 31062875

IUPAC2-(3,3-diphenylpropanoylamino)propanediamide
SMILESNC(=O)C(NC(=O)CC(c1ccccc1)c1ccccc1)C(N)=O
InChIInChI=1S/C18H19N3O3/c19-17(23)16(18(20)24)21-15(22)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14,16H,11H2,(H2,19,23)(H2,20,24)(H,21,22)
InChIKeyLVZSEJDMNZBOEC-UHFFFAOYSA-N
MW325.37 g/mol
LogP0.66
Rot. Bonds7

About 2-(3,3-diphenylpropanoylamino)propanediamide

2-(3,3-diphenylpropanoylamino)propanediamide (PubChem CID 31062875) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(3,3-diphenylpropanoylamino)propanediamide.

Molecular Properties

Compound Name2-(3,3-diphenylpropanoylamino)propanediamide
PubChem CID31062875
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-(3,3-diphenylpropanoylamino)propanediamide
SMILESNC(=O)C(NC(=O)CC(c1ccccc1)c1ccccc1)C(N)=O
InChIInChI=1S/C18H19N3O3/c19-17(23)16(18(20)24)21-15(22)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14,16H,11H2,(H2,19,23)(H2,20,24)(H,21,22)
InChIKeyLVZSEJDMNZBOEC-UHFFFAOYSA-N
XLogP0.66
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(3,3-diphenylpropanoylamino)propanediamide?
The IUPAC name of 2-(3,3-diphenylpropanoylamino)propanediamide (CID 31062875) is 2-(3,3-diphenylpropanoylamino)propanediamide.
What is the SMILES notation for 2-(3,3-diphenylpropanoylamino)propanediamide?
The canonical SMILES for 2-(3,3-diphenylpropanoylamino)propanediamide is NC(=O)C(NC(=O)CC(c1ccccc1)c1ccccc1)C(N)=O.
What is the InChIKey of 2-(3,3-diphenylpropanoylamino)propanediamide?
The InChIKey is LVZSEJDMNZBOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c19-17(23)16(18(20)24)21-15(22)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14,16H,11H2,(H2,19,23)(H2,20,24)(H,21,22).
What are the key properties of 2-(3,3-diphenylpropanoylamino)propanediamide?
2-(3,3-diphenylpropanoylamino)propanediamide has a molecular weight of 325.37 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-diphenylpropanoylamino)propanediamide is sourced from PubChem (CID 31062875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).