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

C14H23N3O3 — CID 91789528

IUPACN-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide
SMILESCc1nccn1CCN(C)C(=O)COCC1CCCO1
InChIInChI=1S/C14H23N3O3/c1-12-15-5-6-17(12)8-7-16(2)14(18)11-19-10-13-4-3-9-20-13/h5-6,13H,3-4,7-11H2,1-2H3
InChIKeyFOGBXNATVZOOPK-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.85
Rot. Bonds7

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

N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide (PubChem CID 91789528) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide
PubChem CID91789528
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide
SMILESCc1nccn1CCN(C)C(=O)COCC1CCCO1
InChIInChI=1S/C14H23N3O3/c1-12-15-5-6-17(12)8-7-16(2)14(18)11-19-10-13-4-3-9-20-13/h5-6,13H,3-4,7-11H2,1-2H3
InChIKeyFOGBXNATVZOOPK-UHFFFAOYSA-N
XLogP0.85
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Cyclopentyloxy-1-[3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 53606966
2-Cyclohexyloxy-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 53614028
2-Cyclopentyloxy-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 53614031
2-Cyclopentyloxy-1-[4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 53616125
2-Cyclopentyloxy-1-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 56802171
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 56789808
N-[2-(1-methylimidazol-2-yl)ethyl]-2-[[(2R)-oxan-2-yl]methoxy]acetamide
CID 100329714
2-ethoxy-1-[(2R)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 132319065
1-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 129328750
1-(1H-imidazol-1-yl)-2-(2-methoxyethoxy)ethan-1-one
CID 168301532
2-Cyclopentyloxy-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]butan-1-one
CID 72116863
1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-[(tetrahydro-2H-pyran-2-ylmethoxy)acetyl]piperazine
CID 91840823

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide?
The IUPAC name of N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide (CID 91789528) is N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide.
What is the SMILES notation for N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide?
The canonical SMILES for N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide is Cc1nccn1CCN(C)C(=O)COCC1CCCO1.
What is the InChIKey of N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide?
The InChIKey is FOGBXNATVZOOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-12-15-5-6-17(12)8-7-16(2)14(18)11-19-10-13-4-3-9-20-13/h5-6,13H,3-4,7-11H2,1-2H3.
What are the key properties of N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide?
N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide has a molecular weight of 281.36 g/mol, XLogP of 0.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide is sourced from PubChem (CID 91789528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).