ethane;N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]acetamide

C14H27N3O — CID 157037655

IUPACethane;N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]acetamide
SMILESCC.CC.CC(=O)NC1(c2ncc(C)[nH]2)CCC1
InChIInChI=1S/C10H15N3O.2C2H6/c1-7-6-11-9(12-7)10(4-3-5-10)13-8(2)14;2*1-2/h6H,3-5H2,1-2H3,(H,11,12)(H,13,14);2*1-2H3
InChIKeyNQGWAWMIVBYOTA-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.29
Rot. Bonds2

About ethane;N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]acetamide

ethane;N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]acetamide (PubChem CID 157037655) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is ethane;N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]acetamide.

Molecular Properties

Compound Nameethane;N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]acetamide
PubChem CID157037655
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Nameethane;N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]acetamide
SMILESCC.CC.CC(=O)NC1(c2ncc(C)[nH]2)CCC1
InChIInChI=1S/C10H15N3O.2C2H6/c1-7-6-11-9(12-7)10(4-3-5-10)13-8(2)14;2*1-2/h6H,3-5H2,1-2H3,(H,11,12)(H,13,14);2*1-2H3
InChIKeyNQGWAWMIVBYOTA-UHFFFAOYSA-N
XLogP3.29
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]acetamide?
The IUPAC name of ethane;N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]acetamide (CID 157037655) is ethane;N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]acetamide.
What is the SMILES notation for ethane;N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]acetamide?
The canonical SMILES for ethane;N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]acetamide is CC.CC.CC(=O)NC1(c2ncc(C)[nH]2)CCC1.
What is the InChIKey of ethane;N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]acetamide?
The InChIKey is NQGWAWMIVBYOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O.2C2H6/c1-7-6-11-9(12-7)10(4-3-5-10)13-8(2)14;2*1-2/h6H,3-5H2,1-2H3,(H,11,12)(H,13,14);2*1-2H3.
What are the key properties of ethane;N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]acetamide?
ethane;N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]acetamide has a molecular weight of 253.39 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]acetamide is sourced from PubChem (CID 157037655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).