N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide

C19H23NO5 — CID 18111734

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C19H23NO5/c1-20(12-13-6-7-14(22-2)10-17(13)24-4)19(21)16-9-8-15(23-3)11-18(16)25-5/h6-11H,12H2,1-5H3
InChIKeyQTDBVXKPUGEYEG-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.99
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide

N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide (PubChem CID 18111734) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
PubChem CID18111734
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C19H23NO5/c1-20(12-13-6-7-14(22-2)10-17(13)24-4)19(21)16-9-8-15(23-3)11-18(16)25-5/h6-11H,12H2,1-5H3
InChIKeyQTDBVXKPUGEYEG-UHFFFAOYSA-N
XLogP2.99
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxy-N-methylbenzamide
CID 18111735
N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-2-iodo-N-methylbenzamide
CID 39707721
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 18111776
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
2,4-dimethoxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
CID 18115021
N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethyl-3-nitrobenzamide
CID 18111743
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115140783
4-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 27774409
N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32893963
N-[(2,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 115157957

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide (CID 18111734) is N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide is COc1ccc(CN(C)C(=O)c2ccc(OC)cc2OC)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide?
The InChIKey is QTDBVXKPUGEYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-20(12-13-6-7-14(22-2)10-17(13)24-4)19(21)16-9-8-15(23-3)11-18(16)25-5/h6-11H,12H2,1-5H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide?
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide has a molecular weight of 345.40 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 18111734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).