2-cycloheptyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)acetamide

C18H26N2O — CID 114457423

IUPAC2-cycloheptyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)acetamide
SMILESO=C(CC1CCCCCC1)Nc1cccc2c1CCCN2
InChIInChI=1S/C18H26N2O/c21-18(13-14-7-3-1-2-4-8-14)20-17-11-5-10-16-15(17)9-6-12-19-16/h5,10-11,14,19H,1-4,6-9,12-13H2,(H,20,21)
InChIKeyQPFVTYFCEBTRCO-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.34
Rot. Bonds3

About 2-cycloheptyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)acetamide

2-cycloheptyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)acetamide (PubChem CID 114457423) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-cycloheptyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)acetamide.

Molecular Properties

Compound Name2-cycloheptyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)acetamide
PubChem CID114457423
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-cycloheptyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)acetamide
SMILESO=C(CC1CCCCCC1)Nc1cccc2c1CCCN2
InChIInChI=1S/C18H26N2O/c21-18(13-14-7-3-1-2-4-8-14)20-17-11-5-10-16-15(17)9-6-12-19-16/h5,10-11,14,19H,1-4,6-9,12-13H2,(H,20,21)
InChIKeyQPFVTYFCEBTRCO-UHFFFAOYSA-N
XLogP4.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)acetamide?
The IUPAC name of 2-cycloheptyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)acetamide (CID 114457423) is 2-cycloheptyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)acetamide.
What is the SMILES notation for 2-cycloheptyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)acetamide?
The canonical SMILES for 2-cycloheptyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)acetamide is O=C(CC1CCCCCC1)Nc1cccc2c1CCCN2.
What is the InChIKey of 2-cycloheptyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)acetamide?
The InChIKey is QPFVTYFCEBTRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c21-18(13-14-7-3-1-2-4-8-14)20-17-11-5-10-16-15(17)9-6-12-19-16/h5,10-11,14,19H,1-4,6-9,12-13H2,(H,20,21).
What are the key properties of 2-cycloheptyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)acetamide?
2-cycloheptyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)acetamide has a molecular weight of 286.42 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)acetamide is sourced from PubChem (CID 114457423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).