N-(1-cyclohexylimidazol-4-yl)-2-(4-methoxyphenyl)acetamide

C18H23N3O2 — CID 45485661

IUPACN-(1-cyclohexylimidazol-4-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cn(C3CCCCC3)cn2)cc1
InChIInChI=1S/C18H23N3O2/c1-23-16-9-7-14(8-10-16)11-18(22)20-17-12-21(13-19-17)15-5-3-2-4-6-15/h7-10,12-13,15H,2-6,11H2,1H3,(H,20,22)
InChIKeyVLRAQJXMEDKPDZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.58
Rot. Bonds5

About N-(1-cyclohexylimidazol-4-yl)-2-(4-methoxyphenyl)acetamide

N-(1-cyclohexylimidazol-4-yl)-2-(4-methoxyphenyl)acetamide (PubChem CID 45485661) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(1-cyclohexylimidazol-4-yl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1-cyclohexylimidazol-4-yl)-2-(4-methoxyphenyl)acetamide
PubChem CID45485661
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(1-cyclohexylimidazol-4-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cn(C3CCCCC3)cn2)cc1
InChIInChI=1S/C18H23N3O2/c1-23-16-9-7-14(8-10-16)11-18(22)20-17-12-21(13-19-17)15-5-3-2-4-6-15/h7-10,12-13,15H,2-6,11H2,1H3,(H,20,22)
InChIKeyVLRAQJXMEDKPDZ-UHFFFAOYSA-N
XLogP3.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylimidazol-4-yl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(1-cyclohexylimidazol-4-yl)-2-(4-methoxyphenyl)acetamide (CID 45485661) is N-(1-cyclohexylimidazol-4-yl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(1-cyclohexylimidazol-4-yl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(1-cyclohexylimidazol-4-yl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2cn(C3CCCCC3)cn2)cc1.
What is the InChIKey of N-(1-cyclohexylimidazol-4-yl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is VLRAQJXMEDKPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-23-16-9-7-14(8-10-16)11-18(22)20-17-12-21(13-19-17)15-5-3-2-4-6-15/h7-10,12-13,15H,2-6,11H2,1H3,(H,20,22).
What are the key properties of N-(1-cyclohexylimidazol-4-yl)-2-(4-methoxyphenyl)acetamide?
N-(1-cyclohexylimidazol-4-yl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 313.40 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylimidazol-4-yl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 45485661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).