N-(2-methyl-4-oxopentan-3-yl)-2-(2-methylpyrrolidin-1-yl)acetamide

C13H24N2O2 — CID 54882690

IUPACN-(2-methyl-4-oxopentan-3-yl)-2-(2-methylpyrrolidin-1-yl)acetamide
SMILESCC(=O)C(NC(=O)CN1CCCC1C)C(C)C
InChIInChI=1S/C13H24N2O2/c1-9(2)13(11(4)16)14-12(17)8-15-7-5-6-10(15)3/h9-10,13H,5-8H2,1-4H3,(H,14,17)
InChIKeySSKKTDQBMJGQTM-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.20
Rot. Bonds5

About N-(2-methyl-4-oxopentan-3-yl)-2-(2-methylpyrrolidin-1-yl)acetamide

N-(2-methyl-4-oxopentan-3-yl)-2-(2-methylpyrrolidin-1-yl)acetamide (PubChem CID 54882690) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(2-methyl-4-oxopentan-3-yl)-2-(2-methylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-4-oxopentan-3-yl)-2-(2-methylpyrrolidin-1-yl)acetamide
PubChem CID54882690
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-(2-methyl-4-oxopentan-3-yl)-2-(2-methylpyrrolidin-1-yl)acetamide
SMILESCC(=O)C(NC(=O)CN1CCCC1C)C(C)C
InChIInChI=1S/C13H24N2O2/c1-9(2)13(11(4)16)14-12(17)8-15-7-5-6-10(15)3/h9-10,13H,5-8H2,1-4H3,(H,14,17)
InChIKeySSKKTDQBMJGQTM-UHFFFAOYSA-N
XLogP1.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 78998454
N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide
CID 124856247
2-(2,5-dimethylmorpholin-4-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43793090
2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-[(3R)-2-methyl-4-oxopentan-3-yl]acetamide
CID 100896865
2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 63611158
2-(3-methoxypiperidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 113231236
2-[(2R)-2-acetylpyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 59945974
2-(4-tert-butylpiperidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 62091095
2-[(2R)-2-methylpyrrolidin-1-yl]acetamide
CID 167235673
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 63759548
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 79119052
2-[4-(methoxymethyl)piperidin-1-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 63971556

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-oxopentan-3-yl)-2-(2-methylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(2-methyl-4-oxopentan-3-yl)-2-(2-methylpyrrolidin-1-yl)acetamide (CID 54882690) is N-(2-methyl-4-oxopentan-3-yl)-2-(2-methylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-methyl-4-oxopentan-3-yl)-2-(2-methylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(2-methyl-4-oxopentan-3-yl)-2-(2-methylpyrrolidin-1-yl)acetamide is CC(=O)C(NC(=O)CN1CCCC1C)C(C)C.
What is the InChIKey of N-(2-methyl-4-oxopentan-3-yl)-2-(2-methylpyrrolidin-1-yl)acetamide?
The InChIKey is SSKKTDQBMJGQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(2)13(11(4)16)14-12(17)8-15-7-5-6-10(15)3/h9-10,13H,5-8H2,1-4H3,(H,14,17).
What are the key properties of N-(2-methyl-4-oxopentan-3-yl)-2-(2-methylpyrrolidin-1-yl)acetamide?
N-(2-methyl-4-oxopentan-3-yl)-2-(2-methylpyrrolidin-1-yl)acetamide has a molecular weight of 240.35 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-oxopentan-3-yl)-2-(2-methylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 54882690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).