N-(3-ethylpentan-3-yl)acetamide;1-methylpyrrolidin-2-one

C14H28N2O2 — CID 158275289

IUPACN-(3-ethylpentan-3-yl)acetamide;1-methylpyrrolidin-2-one
SMILESCCC(CC)(CC)NC(C)=O.CN1CCCC1=O
InChIInChI=1S/C9H19NO.C5H9NO/c1-5-9(6-2,7-3)10-8(4)11;1-6-4-2-3-5(6)7/h5-7H2,1-4H3,(H,10,11);2-4H2,1H3
InChIKeyGJNNOZMITPNOTD-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.33
Rot. Bonds4

About N-(3-ethylpentan-3-yl)acetamide;1-methylpyrrolidin-2-one

N-(3-ethylpentan-3-yl)acetamide;1-methylpyrrolidin-2-one (PubChem CID 158275289) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(3-ethylpentan-3-yl)acetamide;1-methylpyrrolidin-2-one.

Molecular Properties

Compound NameN-(3-ethylpentan-3-yl)acetamide;1-methylpyrrolidin-2-one
PubChem CID158275289
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-(3-ethylpentan-3-yl)acetamide;1-methylpyrrolidin-2-one
SMILESCCC(CC)(CC)NC(C)=O.CN1CCCC1=O
InChIInChI=1S/C9H19NO.C5H9NO/c1-5-9(6-2,7-3)10-8(4)11;1-6-4-2-3-5(6)7/h5-7H2,1-4H3,(H,10,11);2-4H2,1H3
InChIKeyGJNNOZMITPNOTD-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-3-yl)acetamide;1-methylpyrrolidin-2-one?
The IUPAC name of N-(3-ethylpentan-3-yl)acetamide;1-methylpyrrolidin-2-one (CID 158275289) is N-(3-ethylpentan-3-yl)acetamide;1-methylpyrrolidin-2-one.
What is the SMILES notation for N-(3-ethylpentan-3-yl)acetamide;1-methylpyrrolidin-2-one?
The canonical SMILES for N-(3-ethylpentan-3-yl)acetamide;1-methylpyrrolidin-2-one is CCC(CC)(CC)NC(C)=O.CN1CCCC1=O.
What is the InChIKey of N-(3-ethylpentan-3-yl)acetamide;1-methylpyrrolidin-2-one?
The InChIKey is GJNNOZMITPNOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C5H9NO/c1-5-9(6-2,7-3)10-8(4)11;1-6-4-2-3-5(6)7/h5-7H2,1-4H3,(H,10,11);2-4H2,1H3.
What are the key properties of N-(3-ethylpentan-3-yl)acetamide;1-methylpyrrolidin-2-one?
N-(3-ethylpentan-3-yl)acetamide;1-methylpyrrolidin-2-one has a molecular weight of 256.39 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-3-yl)acetamide;1-methylpyrrolidin-2-one is sourced from PubChem (CID 158275289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).