2,3,4-trimethoxy-N-methyl-N-phenylbenzamide

C17H19NO4 — CID 51161127

IUPAC2,3,4-trimethoxy-N-methyl-N-phenylbenzamide
SMILESCOc1ccc(C(=O)N(C)c2ccccc2)c(OC)c1OC
InChIInChI=1S/C17H19NO4/c1-18(12-8-6-5-7-9-12)17(19)13-10-11-14(20-2)16(22-4)15(13)21-3/h5-11H,1-4H3
InChIKeyRBLPXKSDFBXSFY-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.99
Rot. Bonds5

About 2,3,4-trimethoxy-N-methyl-N-phenylbenzamide

2,3,4-trimethoxy-N-methyl-N-phenylbenzamide (PubChem CID 51161127) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-methyl-N-phenylbenzamide
PubChem CID51161127
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2,3,4-trimethoxy-N-methyl-N-phenylbenzamide
SMILESCOc1ccc(C(=O)N(C)c2ccccc2)c(OC)c1OC
InChIInChI=1S/C17H19NO4/c1-18(12-8-6-5-7-9-12)17(19)13-10-11-14(20-2)16(22-4)15(13)21-3/h5-11H,1-4H3
InChIKeyRBLPXKSDFBXSFY-UHFFFAOYSA-N
XLogP2.99
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminophenyl)-2,3-dimethoxy-N-methylbenzamide
CID 28894012
2,5-dimethoxy-N-methyl-N-phenylbenzamide
CID 16849123
2,3,4-trimethoxy-N-methyl-N-[(4-phenylphenyl)methyl]benzamide
CID 52571877
4,5,6-trimethoxy-N-methyl-N-phenyl-1H-indole-3-carboxamide
CID 113206778
N-(2-hydroxyethyl)-2,3,4-trimethoxy-N-methylbenzamide
CID 60652690
3-hydroxy-4-methoxy-N-methyl-N-phenylbenzamide
CID 79725609
2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone
CID 14284964
N-(1-aminopropan-2-yl)-2,3,4-trimethoxy-N-methylbenzamide
CID 104556591
2-fluoro-4-methoxy-N-methyl-N-phenylbenzamide
CID 39963889
2,4,5-trimethoxy-N-methyl-N-phenylpyridine-3-carboxamide
CID 67428238
3,6-dichloro-2-methoxy-N-methyl-N-phenylbenzamide
CID 86210175
N-(4-hydroxy-3-methylphenyl)-3,4-dimethoxy-N,2-dimethylbenzamide
CID 126825213

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-methyl-N-phenylbenzamide?
The IUPAC name of 2,3,4-trimethoxy-N-methyl-N-phenylbenzamide (CID 51161127) is 2,3,4-trimethoxy-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-methyl-N-phenylbenzamide?
The canonical SMILES for 2,3,4-trimethoxy-N-methyl-N-phenylbenzamide is COc1ccc(C(=O)N(C)c2ccccc2)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N-methyl-N-phenylbenzamide?
The InChIKey is RBLPXKSDFBXSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-18(12-8-6-5-7-9-12)17(19)13-10-11-14(20-2)16(22-4)15(13)21-3/h5-11H,1-4H3.
What are the key properties of 2,3,4-trimethoxy-N-methyl-N-phenylbenzamide?
2,3,4-trimethoxy-N-methyl-N-phenylbenzamide has a molecular weight of 301.34 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 51161127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).