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

C20H25N3O2 — CID 167906316

IUPAC1-[2-(dimethylamino)ethyl]-N-methyl-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCN1CC(C(=O)N(C)c2cccc3ccccc23)CC1=O
InChIInChI=1S/C20H25N3O2/c1-21(2)11-12-23-14-16(13-19(23)24)20(25)22(3)18-10-6-8-15-7-4-5-9-17(15)18/h4-10,16H,11-14H2,1-3H3
InChIKeyKVQYAWXFKONLBL-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.21
Rot. Bonds5

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

1-[2-(dimethylamino)ethyl]-N-methyl-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide (PubChem CID 167906316) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-N-methyl-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-N-methyl-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
PubChem CID167906316
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[2-(dimethylamino)ethyl]-N-methyl-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCN1CC(C(=O)N(C)c2cccc3ccccc23)CC1=O
InChIInChI=1S/C20H25N3O2/c1-21(2)11-12-23-14-16(13-19(23)24)20(25)22(3)18-10-6-8-15-7-4-5-9-17(15)18/h4-10,16H,11-14H2,1-3H3
InChIKeyKVQYAWXFKONLBL-UHFFFAOYSA-N
XLogP2.21
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)ethyl]-N-(2-naphthalen-1-ylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 72913353
N-(4-bromonaphthalen-1-yl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 167976588
N-(2,6-diethylphenyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182868
(3S)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-N-(quinolin-6-ylmethyl)pyrrolidine-3-carboxamide
CID 97194025
1-[2-(dimethylamino)ethyl]-4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 74235101
(2S)-2-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119372569
N-benzyl-1-[3-(dimethylamino)propyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113183127
(3R)-N-methyl-5-oxo-N-(2-phenylphenyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95062442
1-[2-(dimethylamino)ethyl]-4-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 136542936
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
N-(3-amino-2,2-dimethylpropyl)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 119654808

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-N-methyl-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-N-methyl-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide (CID 167906316) is 1-[2-(dimethylamino)ethyl]-N-methyl-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-N-methyl-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-N-methyl-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide is CN(C)CCN1CC(C(=O)N(C)c2cccc3ccccc23)CC1=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-N-methyl-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KVQYAWXFKONLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-21(2)11-12-23-14-16(13-19(23)24)20(25)22(3)18-10-6-8-15-7-4-5-9-17(15)18/h4-10,16H,11-14H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-N-methyl-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
1-[2-(dimethylamino)ethyl]-N-methyl-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-N-methyl-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 167906316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).