2-cyclohexyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide

C17H24N2O — CID 63931236

IUPAC2-cyclohexyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide
SMILESO=C(CC1CCCCC1)Nc1ccc2c(c1)NCCC2
InChIInChI=1S/C17H24N2O/c20-17(11-13-5-2-1-3-6-13)19-15-9-8-14-7-4-10-18-16(14)12-15/h8-9,12-13,18H,1-7,10-11H2,(H,19,20)
InChIKeyBWSYZKYKZYUHRP-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.95
Rot. Bonds3

About 2-cyclohexyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide

2-cyclohexyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide (PubChem CID 63931236) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-cyclohexyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide
PubChem CID63931236
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-cyclohexyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide
SMILESO=C(CC1CCCCC1)Nc1ccc2c(c1)NCCC2
InChIInChI=1S/C17H24N2O/c20-17(11-13-5-2-1-3-6-13)19-15-9-8-14-7-4-10-18-16(14)12-15/h8-9,12-13,18H,1-7,10-11H2,(H,19,20)
InChIKeyBWSYZKYKZYUHRP-UHFFFAOYSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide?
The IUPAC name of 2-cyclohexyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide (CID 63931236) is 2-cyclohexyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide is O=C(CC1CCCCC1)Nc1ccc2c(c1)NCCC2.
What is the InChIKey of 2-cyclohexyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide?
The InChIKey is BWSYZKYKZYUHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17(11-13-5-2-1-3-6-13)19-15-9-8-14-7-4-10-18-16(14)12-15/h8-9,12-13,18H,1-7,10-11H2,(H,19,20).
What are the key properties of 2-cyclohexyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide?
2-cyclohexyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide has a molecular weight of 272.39 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide is sourced from PubChem (CID 63931236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).