2-(cyclopropylamino)-N-[(4-methyloxan-4-yl)methyl]acetamide

C12H22N2O2 — CID 103843990

IUPAC2-(cyclopropylamino)-N-[(4-methyloxan-4-yl)methyl]acetamide
SMILESCC1(CNC(=O)CNC2CC2)CCOCC1
InChIInChI=1S/C12H22N2O2/c1-12(4-6-16-7-5-12)9-14-11(15)8-13-10-2-3-10/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeyITGHAROHKWYBMD-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.67
Rot. Bonds5

About 2-(cyclopropylamino)-N-[(4-methyloxan-4-yl)methyl]acetamide

2-(cyclopropylamino)-N-[(4-methyloxan-4-yl)methyl]acetamide (PubChem CID 103843990) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[(4-methyloxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[(4-methyloxan-4-yl)methyl]acetamide
PubChem CID103843990
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(cyclopropylamino)-N-[(4-methyloxan-4-yl)methyl]acetamide
SMILESCC1(CNC(=O)CNC2CC2)CCOCC1
InChIInChI=1S/C12H22N2O2/c1-12(4-6-16-7-5-12)9-14-11(15)8-13-10-2-3-10/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeyITGHAROHKWYBMD-UHFFFAOYSA-N
XLogP0.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[(4-methyloxan-4-yl)methyl]acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-[(4-methyloxan-4-yl)methyl]acetamide (CID 103843990) is 2-(cyclopropylamino)-N-[(4-methyloxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[(4-methyloxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[(4-methyloxan-4-yl)methyl]acetamide is CC1(CNC(=O)CNC2CC2)CCOCC1.
What is the InChIKey of 2-(cyclopropylamino)-N-[(4-methyloxan-4-yl)methyl]acetamide?
The InChIKey is ITGHAROHKWYBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(4-6-16-7-5-12)9-14-11(15)8-13-10-2-3-10/h10,13H,2-9H2,1H3,(H,14,15).
What are the key properties of 2-(cyclopropylamino)-N-[(4-methyloxan-4-yl)methyl]acetamide?
2-(cyclopropylamino)-N-[(4-methyloxan-4-yl)methyl]acetamide has a molecular weight of 226.32 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[(4-methyloxan-4-yl)methyl]acetamide is sourced from PubChem (CID 103843990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).