N-cycloheptyl-2-(2,4-dimethoxyphenyl)acetamide

C17H25NO3 — CID 9113959

IUPACN-cycloheptyl-2-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCCCCC2)c(OC)c1
InChIInChI=1S/C17H25NO3/c1-20-15-10-9-13(16(12-15)21-2)11-17(19)18-14-7-5-3-4-6-8-14/h9-10,12,14H,3-8,11H2,1-2H3,(H,18,19)
InChIKeyYPIAGTLYAJUKSH-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.09
Rot. Bonds5

About N-cycloheptyl-2-(2,4-dimethoxyphenyl)acetamide

N-cycloheptyl-2-(2,4-dimethoxyphenyl)acetamide (PubChem CID 9113959) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-cycloheptyl-2-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(2,4-dimethoxyphenyl)acetamide
PubChem CID9113959
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-cycloheptyl-2-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCCCCC2)c(OC)c1
InChIInChI=1S/C17H25NO3/c1-20-15-10-9-13(16(12-15)21-2)11-17(19)18-14-7-5-3-4-6-8-14/h9-10,12,14H,3-8,11H2,1-2H3,(H,18,19)
InChIKeyYPIAGTLYAJUKSH-UHFFFAOYSA-N
XLogP3.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-cycloheptyl-2-(2,4-dimethoxyphenyl)acetamide (CID 9113959) is N-cycloheptyl-2-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(2,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)NC2CCCCCC2)c(OC)c1.
What is the InChIKey of N-cycloheptyl-2-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is YPIAGTLYAJUKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-20-15-10-9-13(16(12-15)21-2)11-17(19)18-14-7-5-3-4-6-8-14/h9-10,12,14H,3-8,11H2,1-2H3,(H,18,19).
What are the key properties of N-cycloheptyl-2-(2,4-dimethoxyphenyl)acetamide?
N-cycloheptyl-2-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 291.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 9113959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).