2-pyrrolidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride

C14H29ClN2O — CID 24845344

IUPAC2-pyrrolidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride
SMILESCC(C)(C)CC(C)(C)NC(=O)CN1CCCC1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-13(2,3)11-14(4,5)15-12(17)10-16-8-6-7-9-16;/h6-11H2,1-5H3,(H,15,17);1H
InChIKeyMVJUZIKRVKRCPA-UHFFFAOYSA-N
MW276.85 g/mol
LogP2.84
Rot. Bonds4

About 2-pyrrolidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride

2-pyrrolidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride (PubChem CID 24845344) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride
PubChem CID24845344
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC Name2-pyrrolidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride
SMILESCC(C)(C)CC(C)(C)NC(=O)CN1CCCC1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-13(2,3)11-14(4,5)15-12(17)10-16-8-6-7-9-16;/h6-11H2,1-5H3,(H,15,17);1H
InChIKeyMVJUZIKRVKRCPA-UHFFFAOYSA-N
XLogP2.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.85
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 18877375
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CID 3066165
N-(2-methylheptan-2-yl)-2-piperidin-1-ylacetamide
CID 3066164
N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30989737
2-(1,4-diazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide;hydrochloride
CID 119906765
2-(4-hydroxy-4-methylazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 107408042
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 55204264
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 8690942
2-(1,3-dioxoisoindol-2-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 9017592
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-tert-butylacetamide
CID 78808255
N-(2-methylbutan-2-yl)-3-piperidin-1-ylpropanamide;hydrochloride
CID 24842768
2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 63101713

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-pyrrolidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride (CID 24845344) is 2-pyrrolidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-pyrrolidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-pyrrolidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride is CC(C)(C)CC(C)(C)NC(=O)CN1CCCC1.Cl.
What is the InChIKey of 2-pyrrolidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride?
The InChIKey is MVJUZIKRVKRCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-13(2,3)11-14(4,5)15-12(17)10-16-8-6-7-9-16;/h6-11H2,1-5H3,(H,15,17);1H.
What are the key properties of 2-pyrrolidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride?
2-pyrrolidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride has a molecular weight of 276.85 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 24845344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).