2-[cyclopropylmethyl(methyl)amino]-N-(oxolan-2-ylmethyl)acetamide

C12H22N2O2 — CID 71891933

IUPAC2-[cyclopropylmethyl(methyl)amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCC1CCCO1)CC1CC1
InChIInChI=1S/C12H22N2O2/c1-14(8-10-4-5-10)9-12(15)13-7-11-3-2-6-16-11/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyGTZGQZNKIMCDJJ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.62
Rot. Bonds6

About 2-[cyclopropylmethyl(methyl)amino]-N-(oxolan-2-ylmethyl)acetamide

2-[cyclopropylmethyl(methyl)amino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 71891933) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(methyl)amino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropylmethyl(methyl)amino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID71891933
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[cyclopropylmethyl(methyl)amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCC1CCCO1)CC1CC1
InChIInChI=1S/C12H22N2O2/c1-14(8-10-4-5-10)9-12(15)13-7-11-3-2-6-16-11/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyGTZGQZNKIMCDJJ-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(methyl)amino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[cyclopropylmethyl(methyl)amino]-N-(oxolan-2-ylmethyl)acetamide (CID 71891933) is 2-[cyclopropylmethyl(methyl)amino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[cyclopropylmethyl(methyl)amino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[cyclopropylmethyl(methyl)amino]-N-(oxolan-2-ylmethyl)acetamide is CN(CC(=O)NCC1CCCO1)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl(methyl)amino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is GTZGQZNKIMCDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-14(8-10-4-5-10)9-12(15)13-7-11-3-2-6-16-11/h10-11H,2-9H2,1H3,(H,13,15).
What are the key properties of 2-[cyclopropylmethyl(methyl)amino]-N-(oxolan-2-ylmethyl)acetamide?
2-[cyclopropylmethyl(methyl)amino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 226.32 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(methyl)amino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 71891933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).