2-cyano-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]acetamide

C17H22N2O3 — CID 823292

IUPAC2-cyano-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]acetamide
SMILESCOc1ccc(C2(CNC(=O)CC#N)CCCC2)cc1OC
InChIInChI=1S/C17H22N2O3/c1-21-14-6-5-13(11-15(14)22-2)17(8-3-4-9-17)12-19-16(20)7-10-18/h5-6,11H,3-4,7-9,12H2,1-2H3,(H,19,20)
InChIKeyKGDYWNIGJJQVOG-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.55
Rot. Bonds6

About 2-cyano-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]acetamide

2-cyano-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]acetamide (PubChem CID 823292) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-cyano-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]acetamide
PubChem CID823292
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-cyano-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]acetamide
SMILESCOc1ccc(C2(CNC(=O)CC#N)CCCC2)cc1OC
InChIInChI=1S/C17H22N2O3/c1-21-14-6-5-13(11-15(14)22-2)17(8-3-4-9-17)12-19-16(20)7-10-18/h5-6,11H,3-4,7-9,12H2,1-2H3,(H,19,20)
InChIKeyKGDYWNIGJJQVOG-UHFFFAOYSA-N
XLogP2.55
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]acetamide?
The IUPAC name of 2-cyano-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]acetamide (CID 823292) is 2-cyano-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]acetamide?
The canonical SMILES for 2-cyano-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]acetamide is COc1ccc(C2(CNC(=O)CC#N)CCCC2)cc1OC.
What is the InChIKey of 2-cyano-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]acetamide?
The InChIKey is KGDYWNIGJJQVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-21-14-6-5-13(11-15(14)22-2)17(8-3-4-9-17)12-19-16(20)7-10-18/h5-6,11H,3-4,7-9,12H2,1-2H3,(H,19,20).
What are the key properties of 2-cyano-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]acetamide?
2-cyano-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]acetamide has a molecular weight of 302.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]acetamide is sourced from PubChem (CID 823292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).