N-[2-(1-cycloheptyl-5-methylimidazol-2-yl)ethyl]acetamide

C15H25N3O — CID 110203801

IUPACN-[2-(1-cycloheptyl-5-methylimidazol-2-yl)ethyl]acetamide
SMILESCC(=O)NCCc1ncc(C)n1C1CCCCCC1
InChIInChI=1S/C15H25N3O/c1-12-11-17-15(9-10-16-13(2)19)18(12)14-7-5-3-4-6-8-14/h11,14H,3-10H2,1-2H3,(H,16,19)
InChIKeyBSWQEIBJCWJITQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.77
Rot. Bonds4

About N-[2-(1-cycloheptyl-5-methylimidazol-2-yl)ethyl]acetamide

N-[2-(1-cycloheptyl-5-methylimidazol-2-yl)ethyl]acetamide (PubChem CID 110203801) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[2-(1-cycloheptyl-5-methylimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-cycloheptyl-5-methylimidazol-2-yl)ethyl]acetamide
PubChem CID110203801
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[2-(1-cycloheptyl-5-methylimidazol-2-yl)ethyl]acetamide
SMILESCC(=O)NCCc1ncc(C)n1C1CCCCCC1
InChIInChI=1S/C15H25N3O/c1-12-11-17-15(9-10-16-13(2)19)18(12)14-7-5-3-4-6-8-14/h11,14H,3-10H2,1-2H3,(H,16,19)
InChIKeyBSWQEIBJCWJITQ-UHFFFAOYSA-N
XLogP2.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cycloheptyl-5-methylimidazol-2-yl)ethyl]acetamide?
The IUPAC name of N-[2-(1-cycloheptyl-5-methylimidazol-2-yl)ethyl]acetamide (CID 110203801) is N-[2-(1-cycloheptyl-5-methylimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(1-cycloheptyl-5-methylimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(1-cycloheptyl-5-methylimidazol-2-yl)ethyl]acetamide is CC(=O)NCCc1ncc(C)n1C1CCCCCC1.
What is the InChIKey of N-[2-(1-cycloheptyl-5-methylimidazol-2-yl)ethyl]acetamide?
The InChIKey is BSWQEIBJCWJITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12-11-17-15(9-10-16-13(2)19)18(12)14-7-5-3-4-6-8-14/h11,14H,3-10H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(1-cycloheptyl-5-methylimidazol-2-yl)ethyl]acetamide?
N-[2-(1-cycloheptyl-5-methylimidazol-2-yl)ethyl]acetamide has a molecular weight of 263.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cycloheptyl-5-methylimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 110203801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).