N-[2,3-dimethyl-1-(3-methylphenyl)-1-oxobutan-2-yl]-3-methoxy-2-methylbenzamide

C22H27NO3 — CID 10360726

IUPACN-[2,3-dimethyl-1-(3-methylphenyl)-1-oxobutan-2-yl]-3-methoxy-2-methylbenzamide
SMILESCOc1cccc(C(=O)NC(C)(C(=O)c2cccc(C)c2)C(C)C)c1C
InChIInChI=1S/C22H27NO3/c1-14(2)22(5,20(24)17-10-7-9-15(3)13-17)23-21(25)18-11-8-12-19(26-6)16(18)4/h7-14H,1-6H3,(H,23,25)
InChIKeyKZNIYXXRSCKTRG-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.34
Rot. Bonds6

About N-[2,3-dimethyl-1-(3-methylphenyl)-1-oxobutan-2-yl]-3-methoxy-2-methylbenzamide

N-[2,3-dimethyl-1-(3-methylphenyl)-1-oxobutan-2-yl]-3-methoxy-2-methylbenzamide (PubChem CID 10360726) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-[2,3-dimethyl-1-(3-methylphenyl)-1-oxobutan-2-yl]-3-methoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[2,3-dimethyl-1-(3-methylphenyl)-1-oxobutan-2-yl]-3-methoxy-2-methylbenzamide
PubChem CID10360726
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC NameN-[2,3-dimethyl-1-(3-methylphenyl)-1-oxobutan-2-yl]-3-methoxy-2-methylbenzamide
SMILESCOc1cccc(C(=O)NC(C)(C(=O)c2cccc(C)c2)C(C)C)c1C
InChIInChI=1S/C22H27NO3/c1-14(2)22(5,20(24)17-10-7-9-15(3)13-17)23-21(25)18-11-8-12-19(26-6)16(18)4/h7-14H,1-6H3,(H,23,25)
InChIKeyKZNIYXXRSCKTRG-UHFFFAOYSA-N
XLogP4.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-3-ethoxy-2-methylbenzohydrazide
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RheoSwitch ligand 1
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3-methoxy-N-[1-(2-methoxybenzoyl)cyclohexyl]-2-methylbenzamide
CID 10385185
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Frequently Asked Questions

What is the IUPAC name of N-[2,3-dimethyl-1-(3-methylphenyl)-1-oxobutan-2-yl]-3-methoxy-2-methylbenzamide?
The IUPAC name of N-[2,3-dimethyl-1-(3-methylphenyl)-1-oxobutan-2-yl]-3-methoxy-2-methylbenzamide (CID 10360726) is N-[2,3-dimethyl-1-(3-methylphenyl)-1-oxobutan-2-yl]-3-methoxy-2-methylbenzamide.
What is the SMILES notation for N-[2,3-dimethyl-1-(3-methylphenyl)-1-oxobutan-2-yl]-3-methoxy-2-methylbenzamide?
The canonical SMILES for N-[2,3-dimethyl-1-(3-methylphenyl)-1-oxobutan-2-yl]-3-methoxy-2-methylbenzamide is COc1cccc(C(=O)NC(C)(C(=O)c2cccc(C)c2)C(C)C)c1C.
What is the InChIKey of N-[2,3-dimethyl-1-(3-methylphenyl)-1-oxobutan-2-yl]-3-methoxy-2-methylbenzamide?
The InChIKey is KZNIYXXRSCKTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-14(2)22(5,20(24)17-10-7-9-15(3)13-17)23-21(25)18-11-8-12-19(26-6)16(18)4/h7-14H,1-6H3,(H,23,25).
What are the key properties of N-[2,3-dimethyl-1-(3-methylphenyl)-1-oxobutan-2-yl]-3-methoxy-2-methylbenzamide?
N-[2,3-dimethyl-1-(3-methylphenyl)-1-oxobutan-2-yl]-3-methoxy-2-methylbenzamide has a molecular weight of 353.46 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dimethyl-1-(3-methylphenyl)-1-oxobutan-2-yl]-3-methoxy-2-methylbenzamide is sourced from PubChem (CID 10360726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).