N-(2-methylbutan-2-yl)-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide

C17H30N2O2 — CID 79536402

IUPACN-(2-methylbutan-2-yl)-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide
SMILESCCC(C)(C)NC(=O)CN1CCCC1C1CCCCC1=O
InChIInChI=1S/C17H30N2O2/c1-4-17(2,3)18-16(21)12-19-11-7-9-14(19)13-8-5-6-10-15(13)20/h13-14H,4-12H2,1-3H3,(H,18,21)
InChIKeyZVUYNSONAXPHNX-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.51
Rot. Bonds5

About N-(2-methylbutan-2-yl)-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide

N-(2-methylbutan-2-yl)-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide (PubChem CID 79536402) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide
PubChem CID79536402
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-(2-methylbutan-2-yl)-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide
SMILESCCC(C)(C)NC(=O)CN1CCCC1C1CCCCC1=O
InChIInChI=1S/C17H30N2O2/c1-4-17(2,3)18-16(21)12-19-11-7-9-14(19)13-8-5-6-10-15(13)20/h13-14H,4-12H2,1-3H3,(H,18,21)
InChIKeyZVUYNSONAXPHNX-UHFFFAOYSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide (CID 79536402) is N-(2-methylbutan-2-yl)-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide is CCC(C)(C)NC(=O)CN1CCCC1C1CCCCC1=O.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide?
The InChIKey is ZVUYNSONAXPHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-17(2,3)18-16(21)12-19-11-7-9-14(19)13-8-5-6-10-15(13)20/h13-14H,4-12H2,1-3H3,(H,18,21).
What are the key properties of N-(2-methylbutan-2-yl)-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide?
N-(2-methylbutan-2-yl)-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide has a molecular weight of 294.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 79536402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).