1-[2-(dimethylamino)ethyl]-N-[(2-hydroxy-2-adamantyl)methyl]-5-oxopyrrolidine-3-carboxamide

C20H33N3O3 — CID 50957220

IUPAC1-[2-(dimethylamino)ethyl]-N-[(2-hydroxy-2-adamantyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCN1CC(C(=O)NCC2(O)C3CC4CC(C3)CC2C4)CC1=O
InChIInChI=1S/C20H33N3O3/c1-22(2)3-4-23-11-15(10-18(23)24)19(25)21-12-20(26)16-6-13-5-14(8-16)9-17(20)7-13/h13-17,26H,3-12H2,1-2H3,(H,21,25)
InChIKeyWZUBUHKYWZGCGI-UHFFFAOYSA-N
MW363.50 g/mol
LogP0.70
Rot. Bonds6

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

1-[2-(dimethylamino)ethyl]-N-[(2-hydroxy-2-adamantyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 50957220) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-N-[(2-hydroxy-2-adamantyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-N-[(2-hydroxy-2-adamantyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID50957220
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Name1-[2-(dimethylamino)ethyl]-N-[(2-hydroxy-2-adamantyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCN1CC(C(=O)NCC2(O)C3CC4CC(C3)CC2C4)CC1=O
InChIInChI=1S/C20H33N3O3/c1-22(2)3-4-23-11-15(10-18(23)24)19(25)21-12-20(26)16-6-13-5-14(8-16)9-17(20)7-13/h13-17,26H,3-12H2,1-2H3,(H,21,25)
InChIKeyWZUBUHKYWZGCGI-UHFFFAOYSA-N
XLogP0.70
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182823
N-(2-amino-2-ethylbutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 119641855
N-(3-aminobutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119497303
1-[2-(dimethylamino)ethyl]-5-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrrolidine-3-carboxamide
CID 72875054
4-[[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 119353454
N-butyl-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108787285
(3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 9397964
N-[1-(aminomethyl)cyclopentyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119566707
1-[2-(dimethylamino)ethyl]-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119451954
(3S)-1-[2-(dimethylamino)ethyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97192259
N-(2,6-diethylphenyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182868
(2S)-2-[[(3R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 125119938

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-N-[(2-hydroxy-2-adamantyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-N-[(2-hydroxy-2-adamantyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 50957220) is 1-[2-(dimethylamino)ethyl]-N-[(2-hydroxy-2-adamantyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-N-[(2-hydroxy-2-adamantyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-N-[(2-hydroxy-2-adamantyl)methyl]-5-oxopyrrolidine-3-carboxamide is CN(C)CCN1CC(C(=O)NCC2(O)C3CC4CC(C3)CC2C4)CC1=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-N-[(2-hydroxy-2-adamantyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WZUBUHKYWZGCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-22(2)3-4-23-11-15(10-18(23)24)19(25)21-12-20(26)16-6-13-5-14(8-16)9-17(20)7-13/h13-17,26H,3-12H2,1-2H3,(H,21,25).
What are the key properties of 1-[2-(dimethylamino)ethyl]-N-[(2-hydroxy-2-adamantyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-[2-(dimethylamino)ethyl]-N-[(2-hydroxy-2-adamantyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 363.50 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-N-[(2-hydroxy-2-adamantyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 50957220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).