N-[2-(diethylamino)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide

C23H29N3O2 — CID 20905607

IUPACN-[2-(diethylamino)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
SMILESCCN(CC)CCNC(=O)C(Cc1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C23H29N3O2/c1-3-25(4-2)15-14-24-22(27)21(16-18-10-6-5-7-11-18)26-17-19-12-8-9-13-20(19)23(26)28/h5-13,21H,3-4,14-17H2,1-2H3,(H,24,27)
InChIKeyOYZYLUIDBNKKSP-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.71
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide

N-[2-(diethylamino)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide (PubChem CID 20905607) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
PubChem CID20905607
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[2-(diethylamino)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
SMILESCCN(CC)CCNC(=O)C(Cc1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C23H29N3O2/c1-3-25(4-2)15-14-24-22(27)21(16-18-10-6-5-7-11-18)26-17-19-12-8-9-13-20(19)23(26)28/h5-13,21H,3-4,14-17H2,1-2H3,(H,24,27)
InChIKeyOYZYLUIDBNKKSP-UHFFFAOYSA-N
XLogP2.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(diethylamino)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide 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

(2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide
CID 92688536
N-(2-methylpropyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 71947985
N-(furan-2-ylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 71947979
(2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpropanamide
CID 92886577
N-[4-(diethylamino)-2-methylphenyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 20905633
(2S)-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 92688621
(2R)-N-benzyl-N-methyl-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 92688497
(2R)-3-benzylsulfanyl-N-butyl-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 15945499
(2R)-N-(2,4-dimethylphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 92688551
ethyl 2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoyl]amino]benzoate
CID 92688583
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 91638341
N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 20905614

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide (CID 20905607) is N-[2-(diethylamino)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide is CCN(CC)CCNC(=O)C(Cc1ccccc1)N1Cc2ccccc2C1=O.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide?
The InChIKey is OYZYLUIDBNKKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-25(4-2)15-14-24-22(27)21(16-18-10-6-5-7-11-18)26-17-19-12-8-9-13-20(19)23(26)28/h5-13,21H,3-4,14-17H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(diethylamino)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide?
N-[2-(diethylamino)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide has a molecular weight of 379.50 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 20905607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).