N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide

C24H31NO6 — CID 2870146

IUPACN-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1ccc(C2(CNC(=O)c3cc(OC)c(OC)c(OC)c3)CCCC2)cc1OC
InChIInChI=1S/C24H31NO6/c1-27-18-9-8-17(14-19(18)28-2)24(10-6-7-11-24)15-25-23(26)16-12-20(29-3)22(31-5)21(13-16)30-4/h8-9,12-14H,6-7,10-11,15H2,1-5H3,(H,25,26)
InChIKeyPISBTWXSSKHGPG-UHFFFAOYSA-N
MW429.51 g/mol
LogP3.97
Rot. Bonds9

About N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide

N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide (PubChem CID 2870146) has the molecular formula C24H31NO6 and a molecular weight of 429.51 g/mol. Its IUPAC name is N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide
PubChem CID2870146
Molecular FormulaC24H31NO6
Molecular Weight429.51 g/mol
Exact Mass429.22
IUPAC NameN-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1ccc(C2(CNC(=O)c3cc(OC)c(OC)c(OC)c3)CCCC2)cc1OC
InChIInChI=1S/C24H31NO6/c1-27-18-9-8-17(14-19(18)28-2)24(10-6-7-11-24)15-25-23(26)16-12-20(29-3)22(31-5)21(13-16)30-4/h8-9,12-14H,6-7,10-11,15H2,1-5H3,(H,25,26)
InChIKeyPISBTWXSSKHGPG-UHFFFAOYSA-N
XLogP3.97
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide (CID 2870146) is N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide is COc1ccc(C2(CNC(=O)c3cc(OC)c(OC)c(OC)c3)CCCC2)cc1OC.
What is the InChIKey of N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide?
The InChIKey is PISBTWXSSKHGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO6/c1-27-18-9-8-17(14-19(18)28-2)24(10-6-7-11-24)15-25-23(26)16-12-20(29-3)22(31-5)21(13-16)30-4/h8-9,12-14H,6-7,10-11,15H2,1-5H3,(H,25,26).
What are the key properties of N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide?
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide has a molecular weight of 429.51 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 2870146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).