N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3,5-dimethoxy-4-methylbenzamide

C20H24N2O4 — CID 38585679

IUPACN-[3-[[acetyl(methyl)amino]methyl]phenyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2cccc(CN(C)C(C)=O)c2)cc(OC)c1C
InChIInChI=1S/C20H24N2O4/c1-13-18(25-4)10-16(11-19(13)26-5)20(24)21-17-8-6-7-15(9-17)12-22(3)14(2)23/h6-11H,12H2,1-5H3,(H,21,24)
InChIKeySWHCITQDOVUOJO-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.24
Rot. Bonds6

About N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3,5-dimethoxy-4-methylbenzamide

N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3,5-dimethoxy-4-methylbenzamide (PubChem CID 38585679) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[[acetyl(methyl)amino]methyl]phenyl]-3,5-dimethoxy-4-methylbenzamide
PubChem CID38585679
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[3-[[acetyl(methyl)amino]methyl]phenyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2cccc(CN(C)C(C)=O)c2)cc(OC)c1C
InChIInChI=1S/C20H24N2O4/c1-13-18(25-4)10-16(11-19(13)26-5)20(24)21-17-8-6-7-15(9-17)12-22(3)14(2)23/h6-11H,12H2,1-5H3,(H,21,24)
InChIKeySWHCITQDOVUOJO-UHFFFAOYSA-N
XLogP3.24
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[acetyl(methyl)amino]methyl]phenyl]-4-methylsulfonylbenzamide
CID 38585176
3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39695125
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55654311
N-[3-(diethylaminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 43073865
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 38582791
2-hydroxyethyl N-[3-[[acetyl(methyl)amino]methyl]phenyl]carbamate
CID 79345177
3,5-dimethoxy-4-methyl-N-(3-sulfamoylphenyl)benzamide
CID 4241240
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-(3-bromophenoxy)pyridine-3-carboxamide
CID 55706261
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-bromopropanamide
CID 113385188
methyl 4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoate
CID 54326665
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-chloropentanamide
CID 43699890
3,5-dimethoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 2092676

Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3,5-dimethoxy-4-methylbenzamide (CID 38585679) is N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3,5-dimethoxy-4-methylbenzamide is COc1cc(C(=O)Nc2cccc(CN(C)C(C)=O)c2)cc(OC)c1C.
What is the InChIKey of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is SWHCITQDOVUOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-13-18(25-4)10-16(11-19(13)26-5)20(24)21-17-8-6-7-15(9-17)12-22(3)14(2)23/h6-11H,12H2,1-5H3,(H,21,24).
What are the key properties of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3,5-dimethoxy-4-methylbenzamide?
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 356.42 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 38585679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).