4,5-dimethoxy-N,N-dimethyl-2-[[2-(4-methylphenyl)-2-oxoacetyl]amino]benzamide

C20H22N2O5 — CID 32516391

IUPAC4,5-dimethoxy-N,N-dimethyl-2-[[2-(4-methylphenyl)-2-oxoacetyl]amino]benzamide
SMILESCOc1cc(NC(=O)C(=O)c2ccc(C)cc2)c(C(=O)N(C)C)cc1OC
InChIInChI=1S/C20H22N2O5/c1-12-6-8-13(9-7-12)18(23)19(24)21-15-11-17(27-5)16(26-4)10-14(15)20(25)22(2)3/h6-11H,1-5H3,(H,21,24)
InChIKeyFIQRFZQYNMPMAV-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.54
Rot. Bonds6

About 4,5-dimethoxy-N,N-dimethyl-2-[[2-(4-methylphenyl)-2-oxoacetyl]amino]benzamide

4,5-dimethoxy-N,N-dimethyl-2-[[2-(4-methylphenyl)-2-oxoacetyl]amino]benzamide (PubChem CID 32516391) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4,5-dimethoxy-N,N-dimethyl-2-[[2-(4-methylphenyl)-2-oxoacetyl]amino]benzamide.

Molecular Properties

Compound Name4,5-dimethoxy-N,N-dimethyl-2-[[2-(4-methylphenyl)-2-oxoacetyl]amino]benzamide
PubChem CID32516391
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name4,5-dimethoxy-N,N-dimethyl-2-[[2-(4-methylphenyl)-2-oxoacetyl]amino]benzamide
SMILESCOc1cc(NC(=O)C(=O)c2ccc(C)cc2)c(C(=O)N(C)C)cc1OC
InChIInChI=1S/C20H22N2O5/c1-12-6-8-13(9-7-12)18(23)19(24)21-15-11-17(27-5)16(26-4)10-14(15)20(25)22(2)3/h6-11H,1-5H3,(H,21,24)
InChIKeyFIQRFZQYNMPMAV-UHFFFAOYSA-N
XLogP2.54
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(3,5-dimethylbenzoyl)amino]-4,5-dimethoxy-N,N-dimethylbenzamide
CID 32509130
N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,7-dimethylquinoline-3-carboxamide
CID 46439872
N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-6-methoxypyridine-3-carboxamide
CID 32514301
4,5-dimethoxy-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-N,N-dimethylbenzamide
CID 46404987
N-[2-(3,4-dimethoxyphenyl)phenyl]-2-(4-methylphenyl)-2-oxoacetamide
CID 23061626
N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 32516317
4,5-dimethoxy-N,N-dimethyl-2-(4-methylpentanoylamino)benzamide
CID 32511429
4,5-dimethoxy-N,N-dimethyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 119719067
4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-methylindol-1-yl)acetyl]amino]benzamide
CID 32513243
N-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 47121268
4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 32511900
N-(3,5-dimethylphenyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 47121219

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-N,N-dimethyl-2-[[2-(4-methylphenyl)-2-oxoacetyl]amino]benzamide?
The IUPAC name of 4,5-dimethoxy-N,N-dimethyl-2-[[2-(4-methylphenyl)-2-oxoacetyl]amino]benzamide (CID 32516391) is 4,5-dimethoxy-N,N-dimethyl-2-[[2-(4-methylphenyl)-2-oxoacetyl]amino]benzamide.
What is the SMILES notation for 4,5-dimethoxy-N,N-dimethyl-2-[[2-(4-methylphenyl)-2-oxoacetyl]amino]benzamide?
The canonical SMILES for 4,5-dimethoxy-N,N-dimethyl-2-[[2-(4-methylphenyl)-2-oxoacetyl]amino]benzamide is COc1cc(NC(=O)C(=O)c2ccc(C)cc2)c(C(=O)N(C)C)cc1OC.
What is the InChIKey of 4,5-dimethoxy-N,N-dimethyl-2-[[2-(4-methylphenyl)-2-oxoacetyl]amino]benzamide?
The InChIKey is FIQRFZQYNMPMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-12-6-8-13(9-7-12)18(23)19(24)21-15-11-17(27-5)16(26-4)10-14(15)20(25)22(2)3/h6-11H,1-5H3,(H,21,24).
What are the key properties of 4,5-dimethoxy-N,N-dimethyl-2-[[2-(4-methylphenyl)-2-oxoacetyl]amino]benzamide?
4,5-dimethoxy-N,N-dimethyl-2-[[2-(4-methylphenyl)-2-oxoacetyl]amino]benzamide has a molecular weight of 370.41 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-N,N-dimethyl-2-[[2-(4-methylphenyl)-2-oxoacetyl]amino]benzamide is sourced from PubChem (CID 32516391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).