2-(cycloheptylamino)-N-(2,3-dimethylphenyl)acetamide

C17H26N2O — CID 109005556

IUPAC2-(cycloheptylamino)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNC2CCCCCC2)c1C
InChIInChI=1S/C17H26N2O/c1-13-8-7-11-16(14(13)2)19-17(20)12-18-15-9-5-3-4-6-10-15/h7-8,11,15,18H,3-6,9-10,12H2,1-2H3,(H,19,20)
InChIKeySLUJDTPGYHGEBZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.55
Rot. Bonds4

About 2-(cycloheptylamino)-N-(2,3-dimethylphenyl)acetamide

2-(cycloheptylamino)-N-(2,3-dimethylphenyl)acetamide (PubChem CID 109005556) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(cycloheptylamino)-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(cycloheptylamino)-N-(2,3-dimethylphenyl)acetamide
PubChem CID109005556
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(cycloheptylamino)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNC2CCCCCC2)c1C
InChIInChI=1S/C17H26N2O/c1-13-8-7-11-16(14(13)2)19-17(20)12-18-15-9-5-3-4-6-10-15/h7-8,11,15,18H,3-6,9-10,12H2,1-2H3,(H,19,20)
InChIKeySLUJDTPGYHGEBZ-UHFFFAOYSA-N
XLogP3.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-(cycloheptylamino)-N-(2,3-dimethylphenyl)acetamide (CID 109005556) is 2-(cycloheptylamino)-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(cycloheptylamino)-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-(cycloheptylamino)-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CNC2CCCCCC2)c1C.
What is the InChIKey of 2-(cycloheptylamino)-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is SLUJDTPGYHGEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-8-7-11-16(14(13)2)19-17(20)12-18-15-9-5-3-4-6-10-15/h7-8,11,15,18H,3-6,9-10,12H2,1-2H3,(H,19,20).
What are the key properties of 2-(cycloheptylamino)-N-(2,3-dimethylphenyl)acetamide?
2-(cycloheptylamino)-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 274.41 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 109005556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).