N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

C20H27N3O — CID 60559475

IUPACN-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESCc1nccn1CC(C)CNC(=O)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C20H27N3O/c1-15(14-23-10-9-21-16(23)2)13-22-20(24)12-17-7-8-18-5-3-4-6-19(18)11-17/h7-11,15H,3-6,12-14H2,1-2H3,(H,22,24)
InChIKeyVXPZULWWDMGFDW-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.07
Rot. Bonds6

About N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 60559475) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
PubChem CID60559475
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESCc1nccn1CC(C)CNC(=O)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C20H27N3O/c1-15(14-23-10-9-21-16(23)2)13-22-20(24)12-17-7-8-18-5-3-4-6-19(18)11-17/h7-11,15H,3-6,12-14H2,1-2H3,(H,22,24)
InChIKeyVXPZULWWDMGFDW-UHFFFAOYSA-N
XLogP3.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (CID 60559475) is N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is Cc1nccn1CC(C)CNC(=O)Cc1ccc2c(c1)CCCC2.
What is the InChIKey of N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is VXPZULWWDMGFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-15(14-23-10-9-21-16(23)2)13-22-20(24)12-17-7-8-18-5-3-4-6-19(18)11-17/h7-11,15H,3-6,12-14H2,1-2H3,(H,22,24).
What are the key properties of N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 325.46 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 60559475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).