3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide

C20H25N3O2 — CID 171553811

IUPAC3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide
SMILESCCN(CCC(=O)Nc1ccccc1)CCC(=O)Nc1ccccc1
InChIInChI=1S/C20H25N3O2/c1-2-23(15-13-19(24)21-17-9-5-3-6-10-17)16-14-20(25)22-18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3,(H,21,24)(H,22,25)
InChIKeyJPLLNIYWQIWJGX-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.37
Rot. Bonds9

About 3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide

3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide (PubChem CID 171553811) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide
PubChem CID171553811
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide
SMILESCCN(CCC(=O)Nc1ccccc1)CCC(=O)Nc1ccccc1
InChIInChI=1S/C20H25N3O2/c1-2-23(15-13-19(24)21-17-9-5-3-6-10-17)16-14-20(25)22-18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3,(H,21,24)(H,22,25)
InChIKeyJPLLNIYWQIWJGX-UHFFFAOYSA-N
XLogP3.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dipropylamino)-N-phenylpropanamide
CID 52579960
3-[2-hydroxyethyl(propyl)amino]-N-phenylpropanamide
CID 62016603
3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 60987692
N-(4-chlorophenyl)-3-(diethylamino)propanamide
CID 109030730
2-[(3-anilino-3-oxopropyl)-ethylamino]-2-methylpropanoic acid
CID 62820463
2-[(3-anilino-3-oxopropyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425180
4-[(3-anilino-3-oxopropyl)-propylamino]-N-hydroxybutanamide
CID 155124242
2-[2-aminoethyl(ethyl)amino]-N-phenylacetamide
CID 61348942
2-[(2-amino-2-oxoethyl)-(3-anilino-3-oxopropyl)amino]acetic acid
CID 107440552
2-[3-(diethylamino)propanoylamino]benzoic acid
CID 559444
ethane;methane;N-phenylpropanamide
CID 159778408
2-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 62637248

Frequently Asked Questions

What is the IUPAC name of 3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide?
The IUPAC name of 3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide (CID 171553811) is 3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide.
What is the SMILES notation for 3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide?
The canonical SMILES for 3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide is CCN(CCC(=O)Nc1ccccc1)CCC(=O)Nc1ccccc1.
What is the InChIKey of 3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide?
The InChIKey is JPLLNIYWQIWJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-23(15-13-19(24)21-17-9-5-3-6-10-17)16-14-20(25)22-18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide?
3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide has a molecular weight of 339.44 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide is sourced from PubChem (CID 171553811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).