N-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]-N-methylacetamide

C12H22N2O3 — CID 104760856

IUPACN-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]-N-methylacetamide
SMILESCOC1(CNCC(=O)N(C)C2CC2)CCOC1
InChIInChI=1S/C12H22N2O3/c1-14(10-3-4-10)11(15)7-13-8-12(16-2)5-6-17-9-12/h10,13H,3-9H2,1-2H3
InChIKeyKYOKGUDGAABLLL-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.00
Rot. Bonds6

About N-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]-N-methylacetamide

N-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]-N-methylacetamide (PubChem CID 104760856) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]-N-methylacetamide
PubChem CID104760856
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]-N-methylacetamide
SMILESCOC1(CNCC(=O)N(C)C2CC2)CCOC1
InChIInChI=1S/C12H22N2O3/c1-14(10-3-4-10)11(15)7-13-8-12(16-2)5-6-17-9-12/h10,13H,3-9H2,1-2H3
InChIKeyKYOKGUDGAABLLL-UHFFFAOYSA-N
XLogP0.00
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]-N-methylacetamide (CID 104760856) is N-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]-N-methylacetamide is COC1(CNCC(=O)N(C)C2CC2)CCOC1.
What is the InChIKey of N-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]-N-methylacetamide?
The InChIKey is KYOKGUDGAABLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-14(10-3-4-10)11(15)7-13-8-12(16-2)5-6-17-9-12/h10,13H,3-9H2,1-2H3.
What are the key properties of N-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]-N-methylacetamide?
N-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]-N-methylacetamide has a molecular weight of 242.32 g/mol, XLogP of 0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]-N-methylacetamide is sourced from PubChem (CID 104760856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).