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

C18H25NO4 — CID 659357

IUPACN-acetyl-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]acetamide
SMILESCOc1ccc(C2(CN(C(C)=O)C(C)=O)CCCC2)cc1OC
InChIInChI=1S/C18H25NO4/c1-13(20)19(14(2)21)12-18(9-5-6-10-18)15-7-8-16(22-3)17(11-15)23-4/h7-8,11H,5-6,9-10,12H2,1-4H3
InChIKeyUGNGHBMXNUTKIO-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.91
Rot. Bonds5

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

N-acetyl-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]acetamide (PubChem CID 659357) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-acetyl-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]acetamide
PubChem CID659357
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC NameN-acetyl-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]acetamide
SMILESCOc1ccc(C2(CN(C(C)=O)C(C)=O)CCCC2)cc1OC
InChIInChI=1S/C18H25NO4/c1-13(20)19(14(2)21)12-18(9-5-6-10-18)15-7-8-16(22-3)17(11-15)23-4/h7-8,11H,5-6,9-10,12H2,1-4H3
InChIKeyUGNGHBMXNUTKIO-UHFFFAOYSA-N
XLogP2.91
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]acetamide?
The IUPAC name of N-acetyl-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]acetamide (CID 659357) is N-acetyl-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]acetamide.
What is the SMILES notation for N-acetyl-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]acetamide?
The canonical SMILES for N-acetyl-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]acetamide is COc1ccc(C2(CN(C(C)=O)C(C)=O)CCCC2)cc1OC.
What is the InChIKey of N-acetyl-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]acetamide?
The InChIKey is UGNGHBMXNUTKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-13(20)19(14(2)21)12-18(9-5-6-10-18)15-7-8-16(22-3)17(11-15)23-4/h7-8,11H,5-6,9-10,12H2,1-4H3.
What are the key properties of N-acetyl-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]acetamide?
N-acetyl-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]acetamide has a molecular weight of 319.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]acetamide is sourced from PubChem (CID 659357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).