2,4-dimethoxy-N-[(1-phenylcyclopentyl)methyl]benzamide

C21H25NO3 — CID 737765

IUPAC2,4-dimethoxy-N-[(1-phenylcyclopentyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)c(OC)c1
InChIInChI=1S/C21H25NO3/c1-24-17-10-11-18(19(14-17)25-2)20(23)22-15-21(12-6-7-13-21)16-8-4-3-5-9-16/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3,(H,22,23)
InChIKeyOWNPVLNGZVZJKV-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.95
Rot. Bonds6

About 2,4-dimethoxy-N-[(1-phenylcyclopentyl)methyl]benzamide

2,4-dimethoxy-N-[(1-phenylcyclopentyl)methyl]benzamide (PubChem CID 737765) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[(1-phenylcyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[(1-phenylcyclopentyl)methyl]benzamide
PubChem CID737765
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name2,4-dimethoxy-N-[(1-phenylcyclopentyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)c(OC)c1
InChIInChI=1S/C21H25NO3/c1-24-17-10-11-18(19(14-17)25-2)20(23)22-15-21(12-6-7-13-21)16-8-4-3-5-9-16/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3,(H,22,23)
InChIKeyOWNPVLNGZVZJKV-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 2,4-dimethoxy-N-[(1-phenylcyclopentyl)methyl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[(1-phenylcyclopentyl)methyl]benzamide (CID 737765) is 2,4-dimethoxy-N-[(1-phenylcyclopentyl)methyl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[(1-phenylcyclopentyl)methyl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[(1-phenylcyclopentyl)methyl]benzamide is COc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[(1-phenylcyclopentyl)methyl]benzamide?
The InChIKey is OWNPVLNGZVZJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-24-17-10-11-18(19(14-17)25-2)20(23)22-15-21(12-6-7-13-21)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 2,4-dimethoxy-N-[(1-phenylcyclopentyl)methyl]benzamide?
2,4-dimethoxy-N-[(1-phenylcyclopentyl)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 2,4-dimethoxy-N-[(1-phenylcyclopentyl)methyl]benzamide is sourced from PubChem (CID 737765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).