N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-[(3R)-oxolan-3-yl]acetamide

C13H21N3O2 — CID 164639534

IUPACN-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-[(3R)-oxolan-3-yl]acetamide
SMILESCc1nccn1CCN(C)C(=O)C[C@H]1CCOC1
InChIInChI=1S/C13H21N3O2/c1-11-14-4-5-16(11)7-6-15(2)13(17)9-12-3-8-18-10-12/h4-5,12H,3,6-10H2,1-2H3/t12-/m1/s1
InChIKeyWDDOVHPLXGILJX-GFCCVEGCSA-N
MW251.33 g/mol
LogP1.08
Rot. Bonds5

About N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-[(3R)-oxolan-3-yl]acetamide

N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-[(3R)-oxolan-3-yl]acetamide (PubChem CID 164639534) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-[(3R)-oxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-[(3R)-oxolan-3-yl]acetamide
PubChem CID164639534
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-[(3R)-oxolan-3-yl]acetamide
SMILESCc1nccn1CCN(C)C(=O)C[C@H]1CCOC1
InChIInChI=1S/C13H21N3O2/c1-11-14-4-5-16(11)7-6-15(2)13(17)9-12-3-8-18-10-12/h4-5,12H,3,6-10H2,1-2H3/t12-/m1/s1
InChIKeyWDDOVHPLXGILJX-GFCCVEGCSA-N
XLogP1.08
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-[(3R)-oxolan-3-yl]acetamide?
The IUPAC name of N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-[(3R)-oxolan-3-yl]acetamide (CID 164639534) is N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-[(3R)-oxolan-3-yl]acetamide.
What is the SMILES notation for N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-[(3R)-oxolan-3-yl]acetamide?
The canonical SMILES for N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-[(3R)-oxolan-3-yl]acetamide is Cc1nccn1CCN(C)C(=O)C[C@H]1CCOC1.
What is the InChIKey of N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-[(3R)-oxolan-3-yl]acetamide?
The InChIKey is WDDOVHPLXGILJX-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-11-14-4-5-16(11)7-6-15(2)13(17)9-12-3-8-18-10-12/h4-5,12H,3,6-10H2,1-2H3/t12-/m1/s1.
What are the key properties of N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-[(3R)-oxolan-3-yl]acetamide?
N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-[(3R)-oxolan-3-yl]acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-[(3R)-oxolan-3-yl]acetamide is sourced from PubChem (CID 164639534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).