(3,3-diphenylpropanoylamino) propanoate

C18H19NO3 — CID 174383570

IUPAC(3,3-diphenylpropanoylamino) propanoate
SMILESCCC(=O)ONC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-2-18(21)22-19-17(20)13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H,19,20)
InChIKeyZIZFIKXWXSERSM-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.19
Rot. Bonds5

About (3,3-diphenylpropanoylamino) propanoate

(3,3-diphenylpropanoylamino) propanoate (PubChem CID 174383570) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (3,3-diphenylpropanoylamino) propanoate.

Molecular Properties

Compound Name(3,3-diphenylpropanoylamino) propanoate
PubChem CID174383570
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(3,3-diphenylpropanoylamino) propanoate
SMILESCCC(=O)ONC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-2-18(21)22-19-17(20)13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H,19,20)
InChIKeyZIZFIKXWXSERSM-UHFFFAOYSA-N
XLogP3.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3,3-diphenylpropanoylamino) propanoate 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-methyl-3,3-diphenylpropanamide
CID 3373592
N-methoxy-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 144913522
3,3-diphenyl-N-propylpropanamide
CID 4638647
3,3-diphenyl-N-(trideuteriomethyl)propanamide
CID 46782233
N-[(2S)-pentan-2-yl]-3,3-diphenylpropanamide
CID 2268559
N-(2-methylbutan-2-yl)-3,3-diphenylpropanamide
CID 1292106
[(2R)-2-hydroxy-2-phenylethyl] propanoate
CID 10442612
2-(3,3-diphenylpropanoylamino)propanediamide
CID 31062875
2-(3,3-diphenylpropylamino)ethyl propanoate
CID 163926617
N-[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide
CID 2184828
N-(2-methoxyethyl)-3,3-diphenylpropanamide
CID 2263132
(3-chloro-3-oxo-2-phenylpropyl) propanoate
CID 150567545

Frequently Asked Questions

What is the IUPAC name of (3,3-diphenylpropanoylamino) propanoate?
The IUPAC name of (3,3-diphenylpropanoylamino) propanoate (CID 174383570) is (3,3-diphenylpropanoylamino) propanoate.
What is the SMILES notation for (3,3-diphenylpropanoylamino) propanoate?
The canonical SMILES for (3,3-diphenylpropanoylamino) propanoate is CCC(=O)ONC(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of (3,3-diphenylpropanoylamino) propanoate?
The InChIKey is ZIZFIKXWXSERSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-2-18(21)22-19-17(20)13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H,19,20).
What are the key properties of (3,3-diphenylpropanoylamino) propanoate?
(3,3-diphenylpropanoylamino) propanoate has a molecular weight of 297.35 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-diphenylpropanoylamino) propanoate is sourced from PubChem (CID 174383570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).