N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide

C13H21N3O3 — CID 56789808

IUPACN-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide
SMILESCN(Cc1nccn1C)C(=O)COCC1CCCO1
InChIInChI=1S/C13H21N3O3/c1-15-6-5-14-12(15)8-16(2)13(17)10-18-9-11-4-3-7-19-11/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyFOKGVAIDOKDANR-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.57
Rot. Bonds6

About N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide

N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide (PubChem CID 56789808) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide
PubChem CID56789808
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide
SMILESCN(Cc1nccn1C)C(=O)COCC1CCCO1
InChIInChI=1S/C13H21N3O3/c1-15-6-5-14-12(15)8-16(2)13(17)10-18-9-11-4-3-7-19-11/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyFOKGVAIDOKDANR-UHFFFAOYSA-N
XLogP0.57
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide?
The IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide (CID 56789808) is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide.
What is the SMILES notation for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide?
The canonical SMILES for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide is CN(Cc1nccn1C)C(=O)COCC1CCCO1.
What is the InChIKey of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide?
The InChIKey is FOKGVAIDOKDANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-15-6-5-14-12(15)8-16(2)13(17)10-18-9-11-4-3-7-19-11/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide?
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide has a molecular weight of 267.33 g/mol, XLogP of 0.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide is sourced from PubChem (CID 56789808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).