N-[1-(1H-imidazol-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide

C11H18N4O2 — CID 102656612

IUPACN-[1-(1H-imidazol-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCC(NC(=O)COC1(C)CNC1)c1ncc[nH]1
InChIInChI=1S/C11H18N4O2/c1-8(10-13-3-4-14-10)15-9(16)5-17-11(2)6-12-7-11/h3-4,8,12H,5-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyXWOJVHKYNUPXQQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.03
Rot. Bonds5

About N-[1-(1H-imidazol-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide

N-[1-(1H-imidazol-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 102656612) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[1-(1H-imidazol-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-[1-(1H-imidazol-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID102656612
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-[1-(1H-imidazol-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCC(NC(=O)COC1(C)CNC1)c1ncc[nH]1
InChIInChI=1S/C11H18N4O2/c1-8(10-13-3-4-14-10)15-9(16)5-17-11(2)6-12-7-11/h3-4,8,12H,5-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyXWOJVHKYNUPXQQ-UHFFFAOYSA-N
XLogP-0.03
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylazetidin-3-yl)oxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 102611960
N-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656423
N-[1-(1H-imidazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 114628101
6-[[(1R)-1-(1H-imidazol-2-yl)ethyl]amino]-6-oxohexanoic acid
CID 146109150
N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656407
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611874
(2R)-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pentanoic acid
CID 107564991
2-(3-methylazetidin-3-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 102610864
3-[1-(1H-imidazol-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114899046
N-[(1S)-1-(1H-imidazol-2-yl)ethyl]prop-2-enamide
CID 167887556
butyl N-[(1S)-1-(1H-imidazol-2-yl)ethyl]carbamate
CID 139947377
N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-(trifluoromethyl)cyclohexane-1-carboxamide
CID 154764249

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-[1-(1H-imidazol-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide (CID 102656612) is N-[1-(1H-imidazol-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-[1-(1H-imidazol-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-[1-(1H-imidazol-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide is CC(NC(=O)COC1(C)CNC1)c1ncc[nH]1.
What is the InChIKey of N-[1-(1H-imidazol-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is XWOJVHKYNUPXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8(10-13-3-4-14-10)15-9(16)5-17-11(2)6-12-7-11/h3-4,8,12H,5-7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of N-[1-(1H-imidazol-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide?
N-[1-(1H-imidazol-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 238.29 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-imidazol-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 102656612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).