3-methoxy-2-methyl-N-[3-(2-methylbenzoyl)pentan-3-yl]benzamide

C22H27NO3 — CID 10383450

IUPAC3-methoxy-2-methyl-N-[3-(2-methylbenzoyl)pentan-3-yl]benzamide
SMILESCCC(CC)(NC(=O)c1cccc(OC)c1C)C(=O)c1ccccc1C
InChIInChI=1S/C22H27NO3/c1-6-22(7-2,20(24)17-12-9-8-11-15(17)3)23-21(25)18-13-10-14-19(26-5)16(18)4/h8-14H,6-7H2,1-5H3,(H,23,25)
InChIKeyTYZMTMGUEVSTFF-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.48
Rot. Bonds7

About 3-methoxy-2-methyl-N-[3-(2-methylbenzoyl)pentan-3-yl]benzamide

3-methoxy-2-methyl-N-[3-(2-methylbenzoyl)pentan-3-yl]benzamide (PubChem CID 10383450) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 3-methoxy-2-methyl-N-[3-(2-methylbenzoyl)pentan-3-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-2-methyl-N-[3-(2-methylbenzoyl)pentan-3-yl]benzamide
PubChem CID10383450
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name3-methoxy-2-methyl-N-[3-(2-methylbenzoyl)pentan-3-yl]benzamide
SMILESCCC(CC)(NC(=O)c1cccc(OC)c1C)C(=O)c1ccccc1C
InChIInChI=1S/C22H27NO3/c1-6-22(7-2,20(24)17-12-9-8-11-15(17)3)23-21(25)18-13-10-14-19(26-5)16(18)4/h8-14H,6-7H2,1-5H3,(H,23,25)
InChIKeyTYZMTMGUEVSTFF-UHFFFAOYSA-N
XLogP4.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.48
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-[3-(2-methylbenzoyl)pentan-3-yl]benzamide?
The IUPAC name of 3-methoxy-2-methyl-N-[3-(2-methylbenzoyl)pentan-3-yl]benzamide (CID 10383450) is 3-methoxy-2-methyl-N-[3-(2-methylbenzoyl)pentan-3-yl]benzamide.
What is the SMILES notation for 3-methoxy-2-methyl-N-[3-(2-methylbenzoyl)pentan-3-yl]benzamide?
The canonical SMILES for 3-methoxy-2-methyl-N-[3-(2-methylbenzoyl)pentan-3-yl]benzamide is CCC(CC)(NC(=O)c1cccc(OC)c1C)C(=O)c1ccccc1C.
What is the InChIKey of 3-methoxy-2-methyl-N-[3-(2-methylbenzoyl)pentan-3-yl]benzamide?
The InChIKey is TYZMTMGUEVSTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-6-22(7-2,20(24)17-12-9-8-11-15(17)3)23-21(25)18-13-10-14-19(26-5)16(18)4/h8-14H,6-7H2,1-5H3,(H,23,25).
What are the key properties of 3-methoxy-2-methyl-N-[3-(2-methylbenzoyl)pentan-3-yl]benzamide?
3-methoxy-2-methyl-N-[3-(2-methylbenzoyl)pentan-3-yl]benzamide has a molecular weight of 353.46 g/mol, XLogP of 4.48, 7 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-[3-(2-methylbenzoyl)pentan-3-yl]benzamide is sourced from PubChem (CID 10383450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).