2-(2-aminocycloheptyl)oxy-N-(1-methoxypropan-2-yl)acetamide

C13H26N2O3 — CID 113395244

IUPAC2-(2-aminocycloheptyl)oxy-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)COC1CCCCCC1N
InChIInChI=1S/C13H26N2O3/c1-10(8-17-2)15-13(16)9-18-12-7-5-3-4-6-11(12)14/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyRGBQQWSEWJUESY-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.81
Rot. Bonds6

About 2-(2-aminocycloheptyl)oxy-N-(1-methoxypropan-2-yl)acetamide

2-(2-aminocycloheptyl)oxy-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 113395244) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(2-aminocycloheptyl)oxy-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-aminocycloheptyl)oxy-N-(1-methoxypropan-2-yl)acetamide
PubChem CID113395244
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-(2-aminocycloheptyl)oxy-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)COC1CCCCCC1N
InChIInChI=1S/C13H26N2O3/c1-10(8-17-2)15-13(16)9-18-12-7-5-3-4-6-11(12)14/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyRGBQQWSEWJUESY-UHFFFAOYSA-N
XLogP0.81
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminocycloheptyl)oxy-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(2-aminocycloheptyl)oxy-N-(1-methoxypropan-2-yl)acetamide (CID 113395244) is 2-(2-aminocycloheptyl)oxy-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(2-aminocycloheptyl)oxy-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(2-aminocycloheptyl)oxy-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)COC1CCCCCC1N.
What is the InChIKey of 2-(2-aminocycloheptyl)oxy-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is RGBQQWSEWJUESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10(8-17-2)15-13(16)9-18-12-7-5-3-4-6-11(12)14/h10-12H,3-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-aminocycloheptyl)oxy-N-(1-methoxypropan-2-yl)acetamide?
2-(2-aminocycloheptyl)oxy-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 258.36 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminocycloheptyl)oxy-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 113395244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).