2-(3,3-diphenylpropylamino)ethyl propanoate

C20H25NO2 — CID 163926617

IUPAC2-(3,3-diphenylpropylamino)ethyl propanoate
SMILESCCC(=O)OCCNCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-2-20(22)23-16-15-21-14-13-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,21H,2,13-16H2,1H3
InChIKeyRFAWVZIEYGKNHN-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.75
Rot. Bonds9

About 2-(3,3-diphenylpropylamino)ethyl propanoate

2-(3,3-diphenylpropylamino)ethyl propanoate (PubChem CID 163926617) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(3,3-diphenylpropylamino)ethyl propanoate.

Molecular Properties

Compound Name2-(3,3-diphenylpropylamino)ethyl propanoate
PubChem CID163926617
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-(3,3-diphenylpropylamino)ethyl propanoate
SMILESCCC(=O)OCCNCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-2-20(22)23-16-15-21-14-13-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,21H,2,13-16H2,1H3
InChIKeyRFAWVZIEYGKNHN-UHFFFAOYSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3,3-diphenylpropylamino)ethyl 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

2-(benzylamino)ethyl propanoate
CID 10988499
3,3-diphenylpropyl 3-oxopentanoate
CID 70118835
3-(3,3-diphenylpropylamino)propanoic acid;hydrochloride
CID 10267968
3-(2-phenylethylamino)propyl propanoate
CID 82532105
2-(2-acetyloxyethylamino)ethyl propanoate
CID 89063428
N-(3,3-diphenylpropyl)octadecan-1-amine
CID 57060547
[(2R)-2-hydroxy-2-phenylethyl] propanoate
CID 10442612
(3,3-diphenylpropanoylamino) propanoate
CID 174383570
N-(3,3-diphenylpropyl)octadecan-1-amine;hydrate
CID 173442181
2-(hexadecylamino)ethyl propanoate
CID 174467730
3,3-diphenylpropylurea;formic acid
CID 157477952
3-O-benzyl 1-O-(4,4-diphenylbutyl) propanedioate
CID 175176228

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diphenylpropylamino)ethyl propanoate?
The IUPAC name of 2-(3,3-diphenylpropylamino)ethyl propanoate (CID 163926617) is 2-(3,3-diphenylpropylamino)ethyl propanoate.
What is the SMILES notation for 2-(3,3-diphenylpropylamino)ethyl propanoate?
The canonical SMILES for 2-(3,3-diphenylpropylamino)ethyl propanoate is CCC(=O)OCCNCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(3,3-diphenylpropylamino)ethyl propanoate?
The InChIKey is RFAWVZIEYGKNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-2-20(22)23-16-15-21-14-13-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,21H,2,13-16H2,1H3.
What are the key properties of 2-(3,3-diphenylpropylamino)ethyl propanoate?
2-(3,3-diphenylpropylamino)ethyl propanoate has a molecular weight of 311.43 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-diphenylpropylamino)ethyl propanoate is sourced from PubChem (CID 163926617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).