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

C21H25NO3 — CID 822914

IUPACN-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzamide
SMILESCOc1ccc(C2(CNC(=O)c3ccccc3)CCCC2)cc1OC
InChIInChI=1S/C21H25NO3/c1-24-18-11-10-17(14-19(18)25-2)21(12-6-7-13-21)15-22-20(23)16-8-4-3-5-9-16/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3,(H,22,23)
InChIKeySMMHUAXSCQRSQN-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.95
Rot. Bonds6

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

N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzamide (PubChem CID 822914) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzamide
PubChem CID822914
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzamide
SMILESCOc1ccc(C2(CNC(=O)c3ccccc3)CCCC2)cc1OC
InChIInChI=1S/C21H25NO3/c1-24-18-11-10-17(14-19(18)25-2)21(12-6-7-13-21)15-22-20(23)16-8-4-3-5-9-16/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3,(H,22,23)
InChIKeySMMHUAXSCQRSQN-UHFFFAOYSA-N
XLogP3.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzamide?
The IUPAC name of N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzamide (CID 822914) is N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzamide.
What is the SMILES notation for N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzamide?
The canonical SMILES for N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzamide is COc1ccc(C2(CNC(=O)c3ccccc3)CCCC2)cc1OC.
What is the InChIKey of N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzamide?
The InChIKey is SMMHUAXSCQRSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-24-18-11-10-17(14-19(18)25-2)21(12-6-7-13-21)15-22-20(23)16-8-4-3-5-9-16/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3,(H,22,23).
What are the key properties of N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzamide?
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzamide is sourced from PubChem (CID 822914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).