N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-oxo-4-phenylbutanamide

C20H23NO4 — CID 47004521

IUPACN-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-oxo-4-phenylbutanamide
SMILESCOc1cccc(CN(C)C(=O)CCC(=O)c2ccccc2)c1OC
InChIInChI=1S/C20H23NO4/c1-21(14-16-10-7-11-18(24-2)20(16)25-3)19(23)13-12-17(22)15-8-5-4-6-9-15/h4-11H,12-14H2,1-3H3
InChIKeyXVIXQDZQOVYTBM-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.33
Rot. Bonds8

About N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-oxo-4-phenylbutanamide

N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-oxo-4-phenylbutanamide (PubChem CID 47004521) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-oxo-4-phenylbutanamide
PubChem CID47004521
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-oxo-4-phenylbutanamide
SMILESCOc1cccc(CN(C)C(=O)CCC(=O)c2ccccc2)c1OC
InChIInChI=1S/C20H23NO4/c1-21(14-16-10-7-11-18(24-2)20(16)25-3)19(23)13-12-17(22)15-8-5-4-6-9-15/h4-11H,12-14H2,1-3H3
InChIKeyXVIXQDZQOVYTBM-UHFFFAOYSA-N
XLogP3.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-oxo-4-phenylbutanamide (CID 47004521) is N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-oxo-4-phenylbutanamide is COc1cccc(CN(C)C(=O)CCC(=O)c2ccccc2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-oxo-4-phenylbutanamide?
The InChIKey is XVIXQDZQOVYTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-21(14-16-10-7-11-18(24-2)20(16)25-3)19(23)13-12-17(22)15-8-5-4-6-9-15/h4-11H,12-14H2,1-3H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-oxo-4-phenylbutanamide?
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-oxo-4-phenylbutanamide has a molecular weight of 341.41 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 47004521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).