N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide

C17H25NO3 — CID 720355

IUPACN-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCCCCC2)cc1OC
InChIInChI=1S/C17H25NO3/c1-20-15-10-9-13(11-16(15)21-2)12-17(19)18-14-7-5-3-4-6-8-14/h9-11,14H,3-8,12H2,1-2H3,(H,18,19)
InChIKeyQNUDTLRPXOFANU-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.09
Rot. Bonds5

About N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide

N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 720355) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID720355
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCCCCC2)cc1OC
InChIInChI=1S/C17H25NO3/c1-20-15-10-9-13(11-16(15)21-2)12-17(19)18-14-7-5-3-4-6-8-14/h9-11,14H,3-8,12H2,1-2H3,(H,18,19)
InChIKeyQNUDTLRPXOFANU-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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Related Compounds

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 55691105
N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110407029
N-cyclopentyl-2-(3-ethenyl-4-methoxyphenyl)acetamide
CID 176516153
N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221706
N-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886
N-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 17457747
N-(2-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 61037756
2-(3,4-dimethoxyphenyl)-N-(oxolan-3-yl)acetamide
CID 77089658
1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone
CID 60863000
N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 18083381
N-cyclohexyl-2-(2-methoxy-5-methylphenyl)acetamide
CID 18108630
2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110767767

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide (CID 720355) is N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)NC2CCCCCC2)cc1OC.
What is the InChIKey of N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is QNUDTLRPXOFANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-20-15-10-9-13(11-16(15)21-2)12-17(19)18-14-7-5-3-4-6-8-14/h9-11,14H,3-8,12H2,1-2H3,(H,18,19).
What are the key properties of N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide?
N-cycloheptyl-2-(3,4-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-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 720355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).