2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide

C14H28N2O2 — CID 112605287

IUPAC2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
SMILESCC(CNC(=O)COC(C)(C)C)CN1CCCC1
InChIInChI=1S/C14H28N2O2/c1-12(10-16-7-5-6-8-16)9-15-13(17)11-18-14(2,3)4/h12H,5-11H2,1-4H3,(H,15,17)
InChIKeyCTNUKBGXUHOASH-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.65
Rot. Bonds6

About 2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide

2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide (PubChem CID 112605287) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
PubChem CID112605287
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
SMILESCC(CNC(=O)COC(C)(C)C)CN1CCCC1
InChIInChI=1S/C14H28N2O2/c1-12(10-16-7-5-6-8-16)9-15-13(17)11-18-14(2,3)4/h12H,5-11H2,1-4H3,(H,15,17)
InChIKeyCTNUKBGXUHOASH-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61061515
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304
2-(2-aminoethoxy)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide
CID 79474135
2-(ethylamino)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62993703
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993
2-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
CID 114328650
methyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2-oxoacetate
CID 112617205
4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)butanamide
CID 62060306
5-amino-4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pentanamide
CID 82012433
2-amino-2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)propanamide;dihydrochloride
CID 119859839
(2R)-2-amino-3,3-dimethyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide
CID 103929423
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide
CID 79278573

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide (CID 112605287) is 2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide is CC(CNC(=O)COC(C)(C)C)CN1CCCC1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide?
The InChIKey is CTNUKBGXUHOASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(10-16-7-5-6-8-16)9-15-13(17)11-18-14(2,3)4/h12H,5-11H2,1-4H3,(H,15,17).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide?
2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide has a molecular weight of 256.39 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide is sourced from PubChem (CID 112605287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).