(2-methyl-2-adamantyl) 2-ethyl-2-methyl-4-(2-oxopyrrolidin-1-yl)pentanoate

C23H37NO3 — CID 20710380

IUPAC(2-methyl-2-adamantyl) 2-ethyl-2-methyl-4-(2-oxopyrrolidin-1-yl)pentanoate
SMILESCCC(C)(CC(C)N1CCCC1=O)C(=O)OC1(C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C23H37NO3/c1-5-22(3,14-15(2)24-8-6-7-20(24)25)21(26)27-23(4)18-10-16-9-17(12-18)13-19(23)11-16/h15-19H,5-14H2,1-4H3
InChIKeyARDQJPVWWLXQDK-UHFFFAOYSA-N
MW375.55 g/mol
LogP4.56
Rot. Bonds6

About (2-methyl-2-adamantyl) 2-ethyl-2-methyl-4-(2-oxopyrrolidin-1-yl)pentanoate

(2-methyl-2-adamantyl) 2-ethyl-2-methyl-4-(2-oxopyrrolidin-1-yl)pentanoate (PubChem CID 20710380) has the molecular formula C23H37NO3 and a molecular weight of 375.55 g/mol. Its IUPAC name is (2-methyl-2-adamantyl) 2-ethyl-2-methyl-4-(2-oxopyrrolidin-1-yl)pentanoate.

Molecular Properties

Compound Name(2-methyl-2-adamantyl) 2-ethyl-2-methyl-4-(2-oxopyrrolidin-1-yl)pentanoate
PubChem CID20710380
Molecular FormulaC23H37NO3
Molecular Weight375.55 g/mol
Exact Mass375.28
IUPAC Name(2-methyl-2-adamantyl) 2-ethyl-2-methyl-4-(2-oxopyrrolidin-1-yl)pentanoate
SMILESCCC(C)(CC(C)N1CCCC1=O)C(=O)OC1(C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C23H37NO3/c1-5-22(3,14-15(2)24-8-6-7-20(24)25)21(26)27-23(4)18-10-16-9-17(12-18)13-19(23)11-16/h15-19H,5-14H2,1-4H3
InChIKeyARDQJPVWWLXQDK-UHFFFAOYSA-N
XLogP4.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.55
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-O-tert-butyl 1-O-(2-methyl-2-adamantyl) 2-ethyl-2,4,4-trimethylpentanedioate
CID 54413953
2,2,4,6-tetramethyl-6-[(2-methyl-2-adamantyl)oxycarbonyl]-4-(3-oxocyclohexyl)oxycarbonyloctanoic acid
CID 20591741
1-O-(5,5-dimethyl-2-oxooxolan-3-yl) 5-O-(2-methyl-2-adamantyl) 4-ethyl-2,2,4-trimethylpentanedioate
CID 59083544
1-O-(2-hydroxyethyl) 5-O-(2-methyl-2-adamantyl) 4-ethyl-2,2,4-trimethylpentanedioate
CID 20710374
4-ethyl-N,2,4-trimethyl-2-[2-(2-oxoazepan-1-yl)propyl]-N'-(2,4,4-trimethylpentan-2-yl)pentanediamide
CID 129255103
(2-methyl-2-adamantyl) 2-methyl-2-[[3-methyl-5-[4-[(2-methyl-2-adamantyl)oxy]-4-oxobutyl]-2-oxooxolan-3-yl]methyl]butanoate
CID 20625866
bis[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-ethyl-2,4,4-trimethylpentanedioate
CID 58520271
ethane;[1-[(2-methyl-2-adamantyl)oxy]-1-oxopropan-2-yl] 2,2-dimethylbutanoate
CID 91267656
1-O-(2-hydroxyethyl) 5-O-methyl 3-O-(2-methyl-2-adamantyl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate
CID 23572043
(1-methoxy-2-methylpropyl) 2,2-dimethylbutanoate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate
CID 91016179
(2-methyl-2-adamantyl) 3-iodo-2,2-dimethylpropanoate
CID 148630811
3-O-methyl 5-O-(2-methyl-2-adamantyl) 1-O-(3-methyl-5-oxooxolan-3-yl) 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate
CID 59950350

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-adamantyl) 2-ethyl-2-methyl-4-(2-oxopyrrolidin-1-yl)pentanoate?
The IUPAC name of (2-methyl-2-adamantyl) 2-ethyl-2-methyl-4-(2-oxopyrrolidin-1-yl)pentanoate (CID 20710380) is (2-methyl-2-adamantyl) 2-ethyl-2-methyl-4-(2-oxopyrrolidin-1-yl)pentanoate.
What is the SMILES notation for (2-methyl-2-adamantyl) 2-ethyl-2-methyl-4-(2-oxopyrrolidin-1-yl)pentanoate?
The canonical SMILES for (2-methyl-2-adamantyl) 2-ethyl-2-methyl-4-(2-oxopyrrolidin-1-yl)pentanoate is CCC(C)(CC(C)N1CCCC1=O)C(=O)OC1(C)C2CC3CC(C2)CC1C3.
What is the InChIKey of (2-methyl-2-adamantyl) 2-ethyl-2-methyl-4-(2-oxopyrrolidin-1-yl)pentanoate?
The InChIKey is ARDQJPVWWLXQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO3/c1-5-22(3,14-15(2)24-8-6-7-20(24)25)21(26)27-23(4)18-10-16-9-17(12-18)13-19(23)11-16/h15-19H,5-14H2,1-4H3.
What are the key properties of (2-methyl-2-adamantyl) 2-ethyl-2-methyl-4-(2-oxopyrrolidin-1-yl)pentanoate?
(2-methyl-2-adamantyl) 2-ethyl-2-methyl-4-(2-oxopyrrolidin-1-yl)pentanoate has a molecular weight of 375.55 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-adamantyl) 2-ethyl-2-methyl-4-(2-oxopyrrolidin-1-yl)pentanoate is sourced from PubChem (CID 20710380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).