1-[2-(dimethylamino)ethyl]-N-(2-naphthalen-1-ylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide

C22H29N3O2 — CID 72913353

IUPAC1-[2-(dimethylamino)ethyl]-N-(2-naphthalen-1-ylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCN1CC(C(=O)NC(C)(C)c2cccc3ccccc23)CC1=O
InChIInChI=1S/C22H29N3O2/c1-22(2,19-11-7-9-16-8-5-6-10-18(16)19)23-21(27)17-14-20(26)25(15-17)13-12-24(3)4/h5-11,17H,12-15H2,1-4H3,(H,23,27)
InChIKeyFRIBAINQBNVJTF-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.60
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-N-(2-naphthalen-1-ylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide

1-[2-(dimethylamino)ethyl]-N-(2-naphthalen-1-ylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 72913353) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-N-(2-naphthalen-1-ylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-N-(2-naphthalen-1-ylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID72913353
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-[2-(dimethylamino)ethyl]-N-(2-naphthalen-1-ylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCN1CC(C(=O)NC(C)(C)c2cccc3ccccc23)CC1=O
InChIInChI=1S/C22H29N3O2/c1-22(2,19-11-7-9-16-8-5-6-10-18(16)19)23-21(27)17-14-20(26)25(15-17)13-12-24(3)4/h5-11,17H,12-15H2,1-4H3,(H,23,27)
InChIKeyFRIBAINQBNVJTF-UHFFFAOYSA-N
XLogP2.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(dimethylamino)ethyl]-N-(2-naphthalen-1-ylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide 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

1-[2-(dimethylamino)ethyl]-N-methyl-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 167906316
1-methyl-N-(2-naphthalen-1-ylpropan-2-yl)pyrrolidine-3-carboxamide
CID 122450635
N-(4-bromonaphthalen-1-yl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 167976588
(3R)-1-[2-(dimethylamino)ethyl]-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 97207589
N-(2,6-diethylphenyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182868
4-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119357531
(2S)-2-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119372569
4-[[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 119353454
1-[3-(dimethylamino)propyl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108800222
1-[2-(dimethylamino)ethyl]-N-[(3-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 72924619
(3R)-1-[2-(dimethylamino)ethyl]-N-[(3-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97206956
(3S)-5-oxo-N-(2-phenylpropan-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95130133

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-N-(2-naphthalen-1-ylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-N-(2-naphthalen-1-ylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 72913353) is 1-[2-(dimethylamino)ethyl]-N-(2-naphthalen-1-ylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-N-(2-naphthalen-1-ylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-N-(2-naphthalen-1-ylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide is CN(C)CCN1CC(C(=O)NC(C)(C)c2cccc3ccccc23)CC1=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-N-(2-naphthalen-1-ylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FRIBAINQBNVJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-22(2,19-11-7-9-16-8-5-6-10-18(16)19)23-21(27)17-14-20(26)25(15-17)13-12-24(3)4/h5-11,17H,12-15H2,1-4H3,(H,23,27).
What are the key properties of 1-[2-(dimethylamino)ethyl]-N-(2-naphthalen-1-ylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide?
1-[2-(dimethylamino)ethyl]-N-(2-naphthalen-1-ylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-N-(2-naphthalen-1-ylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 72913353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).