2-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-3-ylethyl)acetamide

C13H20N2O2 — CID 112605093

IUPAC2-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-3-ylethyl)acetamide
SMILESCC(C)(C)OCC(=O)NCCc1cccnc1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)17-10-12(16)15-8-6-11-5-4-7-14-9-11/h4-5,7,9H,6,8,10H2,1-3H3,(H,15,16)
InChIKeyMGHBNHPMJBCBJQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.56
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-3-ylethyl)acetamide

2-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-3-ylethyl)acetamide (PubChem CID 112605093) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-3-ylethyl)acetamide
PubChem CID112605093
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-3-ylethyl)acetamide
SMILESCC(C)(C)OCC(=O)NCCc1cccnc1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)17-10-12(16)15-8-6-11-5-4-7-14-9-11/h4-5,7,9H,6,8,10H2,1-3H3,(H,15,16)
InChIKeyMGHBNHPMJBCBJQ-UHFFFAOYSA-N
XLogP1.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 115174685
methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate
CID 112616794
2-[(2-methylpropan-2-yl)oxy]-N-pyridin-3-ylacetamide
CID 112604829
N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602898
ethyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 60730072
2-(3-methylazetidin-3-yl)oxy-N-(2-pyridin-3-ylethyl)acetamide
CID 102611828
1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea
CID 110872248
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
N-[(2-methylpropan-2-yl)oxy]-2-pyridin-3-ylethanamine
CID 82724326
4-amino-3-methyl-N-(2-pyridin-3-ylethyl)butanamide
CID 81075299
N-tert-butyl-2-(2-pyridin-3-ylethylamino)acetamide
CID 60912742

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-3-ylethyl)acetamide?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-3-ylethyl)acetamide (CID 112605093) is 2-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-3-ylethyl)acetamide.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-3-ylethyl)acetamide?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-3-ylethyl)acetamide is CC(C)(C)OCC(=O)NCCc1cccnc1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-3-ylethyl)acetamide?
The InChIKey is MGHBNHPMJBCBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,3)17-10-12(16)15-8-6-11-5-4-7-14-9-11/h4-5,7,9H,6,8,10H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-3-ylethyl)acetamide?
2-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-3-ylethyl)acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.56, 5 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-pyridin-3-ylethyl)acetamide is sourced from PubChem (CID 112605093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).