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

C12H19N3O2 — CID 110226385

IUPACN-[(1-methylimidazol-2-yl)methyl]-2-(oxan-2-yl)acetamide
SMILESCn1ccnc1CNC(=O)CC1CCCCO1
InChIInChI=1S/C12H19N3O2/c1-15-6-5-13-11(15)9-14-12(16)8-10-4-2-3-7-17-10/h5-6,10H,2-4,7-9H2,1H3,(H,14,16)
InChIKeyUEDJUUWBBLJKLZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.00
Rot. Bonds4

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

N-[(1-methylimidazol-2-yl)methyl]-2-(oxan-2-yl)acetamide (PubChem CID 110226385) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-2-(oxan-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-2-(oxan-2-yl)acetamide
PubChem CID110226385
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-2-(oxan-2-yl)acetamide
SMILESCn1ccnc1CNC(=O)CC1CCCCO1
InChIInChI=1S/C12H19N3O2/c1-15-6-5-13-11(15)9-14-12(16)8-10-4-2-3-7-17-10/h5-6,10H,2-4,7-9H2,1H3,(H,14,16)
InChIKeyUEDJUUWBBLJKLZ-UHFFFAOYSA-N
XLogP1.00
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-methylimidazol-2-yl)methyl]-2-(oxan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1-Methylimidazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea
CID 75451372
3-(2,2-difluoroethoxy)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]propanamide
CID 164635533
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(oxan-2-yl)ethyl]butanamide
CID 110024063
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-propyloxane-4-carboxamide
CID 132377892
3-(2,2-difluoroethoxy)-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]propanamide
CID 132388715
N-[1-(1H-imidazol-2-yl)cyclopropyl]-2-[6-(trifluoromethyl)oxan-2-yl]acetamide
CID 166433817
N-methyl-7-(2-methylimidazol-1-yl)heptanamide
CID 53682553
Propan-2-yl 8-(2-methylimidazol-1-yl)octanoate
CID 53781671
N-ethyl-8-(2-methylimidazol-1-yl)octanamide
CID 54219590
7-(2-methylimidazol-1-yl)-N-propylheptanamide
CID 54318323
Propan-2-yl 7-(2-methylimidazol-1-yl)heptanoate
CID 54357517
8-(2-methylimidazol-1-yl)-N-propyloctanamide
CID 54465832

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-(oxan-2-yl)acetamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-(oxan-2-yl)acetamide (CID 110226385) is N-[(1-methylimidazol-2-yl)methyl]-2-(oxan-2-yl)acetamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-2-(oxan-2-yl)acetamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-2-(oxan-2-yl)acetamide is Cn1ccnc1CNC(=O)CC1CCCCO1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-2-(oxan-2-yl)acetamide?
The InChIKey is UEDJUUWBBLJKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15-6-5-13-11(15)9-14-12(16)8-10-4-2-3-7-17-10/h5-6,10H,2-4,7-9H2,1H3,(H,14,16).
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-2-(oxan-2-yl)acetamide?
N-[(1-methylimidazol-2-yl)methyl]-2-(oxan-2-yl)acetamide has a molecular weight of 237.30 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-2-(oxan-2-yl)acetamide is sourced from PubChem (CID 110226385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).