N-cycloheptyl-2-(2,5-dimethylphenoxy)acetamide

C17H25NO2 — CID 806645

IUPACN-cycloheptyl-2-(2,5-dimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)NC2CCCCCC2)c1
InChIInChI=1S/C17H25NO2/c1-13-9-10-14(2)16(11-13)20-12-17(19)18-15-7-5-3-4-6-8-15/h9-11,15H,3-8,12H2,1-2H3,(H,18,19)
InChIKeyNBFSOBNXELOGNI-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.52
Rot. Bonds4

About N-cycloheptyl-2-(2,5-dimethylphenoxy)acetamide

N-cycloheptyl-2-(2,5-dimethylphenoxy)acetamide (PubChem CID 806645) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-cycloheptyl-2-(2,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(2,5-dimethylphenoxy)acetamide
PubChem CID806645
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-cycloheptyl-2-(2,5-dimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)NC2CCCCCC2)c1
InChIInChI=1S/C17H25NO2/c1-13-9-10-14(2)16(11-13)20-12-17(19)18-15-7-5-3-4-6-8-15/h9-11,15H,3-8,12H2,1-2H3,(H,18,19)
InChIKeyNBFSOBNXELOGNI-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(2,5-dimethylphenoxy)acetamide?
The IUPAC name of N-cycloheptyl-2-(2,5-dimethylphenoxy)acetamide (CID 806645) is N-cycloheptyl-2-(2,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(2,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-cycloheptyl-2-(2,5-dimethylphenoxy)acetamide is Cc1ccc(C)c(OCC(=O)NC2CCCCCC2)c1.
What is the InChIKey of N-cycloheptyl-2-(2,5-dimethylphenoxy)acetamide?
The InChIKey is NBFSOBNXELOGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-9-10-14(2)16(11-13)20-12-17(19)18-15-7-5-3-4-6-8-15/h9-11,15H,3-8,12H2,1-2H3,(H,18,19).
What are the key properties of N-cycloheptyl-2-(2,5-dimethylphenoxy)acetamide?
N-cycloheptyl-2-(2,5-dimethylphenoxy)acetamide has a molecular weight of 275.39 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(2,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 806645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).