2-[2-(methylamino)ethyl]-N-(1-methylcyclohexyl)benzamide

C17H26N2O — CID 104547797

IUPAC2-[2-(methylamino)ethyl]-N-(1-methylcyclohexyl)benzamide
SMILESCNCCc1ccccc1C(=O)NC1(C)CCCCC1
InChIInChI=1S/C17H26N2O/c1-17(11-6-3-7-12-17)19-16(20)15-9-5-4-8-14(15)10-13-18-2/h4-5,8-9,18H,3,6-7,10-13H2,1-2H3,(H,19,20)
InChIKeyCEKRQAURXFIIOG-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.90
Rot. Bonds5

About 2-[2-(methylamino)ethyl]-N-(1-methylcyclohexyl)benzamide

2-[2-(methylamino)ethyl]-N-(1-methylcyclohexyl)benzamide (PubChem CID 104547797) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[2-(methylamino)ethyl]-N-(1-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name2-[2-(methylamino)ethyl]-N-(1-methylcyclohexyl)benzamide
PubChem CID104547797
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[2-(methylamino)ethyl]-N-(1-methylcyclohexyl)benzamide
SMILESCNCCc1ccccc1C(=O)NC1(C)CCCCC1
InChIInChI=1S/C17H26N2O/c1-17(11-6-3-7-12-17)19-16(20)15-9-5-4-8-14(15)10-13-18-2/h4-5,8-9,18H,3,6-7,10-13H2,1-2H3,(H,19,20)
InChIKeyCEKRQAURXFIIOG-UHFFFAOYSA-N
XLogP2.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)ethyl]-N-(1-methylcyclohexyl)benzamide?
The IUPAC name of 2-[2-(methylamino)ethyl]-N-(1-methylcyclohexyl)benzamide (CID 104547797) is 2-[2-(methylamino)ethyl]-N-(1-methylcyclohexyl)benzamide.
What is the SMILES notation for 2-[2-(methylamino)ethyl]-N-(1-methylcyclohexyl)benzamide?
The canonical SMILES for 2-[2-(methylamino)ethyl]-N-(1-methylcyclohexyl)benzamide is CNCCc1ccccc1C(=O)NC1(C)CCCCC1.
What is the InChIKey of 2-[2-(methylamino)ethyl]-N-(1-methylcyclohexyl)benzamide?
The InChIKey is CEKRQAURXFIIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(11-6-3-7-12-17)19-16(20)15-9-5-4-8-14(15)10-13-18-2/h4-5,8-9,18H,3,6-7,10-13H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-(methylamino)ethyl]-N-(1-methylcyclohexyl)benzamide?
2-[2-(methylamino)ethyl]-N-(1-methylcyclohexyl)benzamide has a molecular weight of 274.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)ethyl]-N-(1-methylcyclohexyl)benzamide is sourced from PubChem (CID 104547797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).