3-methoxy-2-methyl-N-[1-(3-methylbenzoyl)cyclopentyl]benzamide

C22H25NO3 — CID 10405702

IUPAC3-methoxy-2-methyl-N-[1-(3-methylbenzoyl)cyclopentyl]benzamide
SMILESCOc1cccc(C(=O)NC2(C(=O)c3cccc(C)c3)CCCC2)c1C
InChIInChI=1S/C22H25NO3/c1-15-8-6-9-17(14-15)20(24)22(12-4-5-13-22)23-21(25)18-10-7-11-19(26-3)16(18)2/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,25)
InChIKeyBXFHWDZTILXQNN-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.24
Rot. Bonds5

About 3-methoxy-2-methyl-N-[1-(3-methylbenzoyl)cyclopentyl]benzamide

3-methoxy-2-methyl-N-[1-(3-methylbenzoyl)cyclopentyl]benzamide (PubChem CID 10405702) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-methoxy-2-methyl-N-[1-(3-methylbenzoyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name3-methoxy-2-methyl-N-[1-(3-methylbenzoyl)cyclopentyl]benzamide
PubChem CID10405702
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name3-methoxy-2-methyl-N-[1-(3-methylbenzoyl)cyclopentyl]benzamide
SMILESCOc1cccc(C(=O)NC2(C(=O)c3cccc(C)c3)CCCC2)c1C
InChIInChI=1S/C22H25NO3/c1-15-8-6-9-17(14-15)20(24)22(12-4-5-13-22)23-21(25)18-10-7-11-19(26-3)16(18)2/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,25)
InChIKeyBXFHWDZTILXQNN-UHFFFAOYSA-N
XLogP4.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-N-[1-(3-methylbenzoyl)cyclopentyl]benzamide?
The IUPAC name of 3-methoxy-2-methyl-N-[1-(3-methylbenzoyl)cyclopentyl]benzamide (CID 10405702) is 3-methoxy-2-methyl-N-[1-(3-methylbenzoyl)cyclopentyl]benzamide.
What is the SMILES notation for 3-methoxy-2-methyl-N-[1-(3-methylbenzoyl)cyclopentyl]benzamide?
The canonical SMILES for 3-methoxy-2-methyl-N-[1-(3-methylbenzoyl)cyclopentyl]benzamide is COc1cccc(C(=O)NC2(C(=O)c3cccc(C)c3)CCCC2)c1C.
What is the InChIKey of 3-methoxy-2-methyl-N-[1-(3-methylbenzoyl)cyclopentyl]benzamide?
The InChIKey is BXFHWDZTILXQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-15-8-6-9-17(14-15)20(24)22(12-4-5-13-22)23-21(25)18-10-7-11-19(26-3)16(18)2/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,25).
What are the key properties of 3-methoxy-2-methyl-N-[1-(3-methylbenzoyl)cyclopentyl]benzamide?
3-methoxy-2-methyl-N-[1-(3-methylbenzoyl)cyclopentyl]benzamide has a molecular weight of 351.45 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-N-[1-(3-methylbenzoyl)cyclopentyl]benzamide is sourced from PubChem (CID 10405702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).