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

C20H24N2O5 — CID 113094837

IUPACN-[4-[acetyl(methyl)amino]phenyl]-3,4,5-trimethoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)c2ccc(N(C)C(C)=O)cc2)cc(OC)c1OC
InChIInChI=1S/C20H24N2O5/c1-13(23)21(2)15-7-9-16(10-8-15)22(3)20(24)14-11-17(25-4)19(27-6)18(12-14)26-5/h7-12H,1-6H3
InChIKeyHCHOUMBHDQNEIA-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.97
Rot. Bonds6

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

N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-trimethoxy-N-methylbenzamide (PubChem CID 113094837) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-trimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-3,4,5-trimethoxy-N-methylbenzamide
PubChem CID113094837
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-3,4,5-trimethoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)c2ccc(N(C)C(C)=O)cc2)cc(OC)c1OC
InChIInChI=1S/C20H24N2O5/c1-13(23)21(2)15-7-9-16(10-8-15)22(3)20(24)14-11-17(25-4)19(27-6)18(12-14)26-5/h7-12H,1-6H3
InChIKeyHCHOUMBHDQNEIA-UHFFFAOYSA-N
XLogP2.97
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-(4-hydroxyphenyl)-3-methoxy-N-methylbenzamide
CID 176768162
N-[4-[acetyl(methyl)amino]phenyl]-3,4-difluoro-N-methylbenzamide
CID 113094861
N-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide
CID 113094823
3-hydroxy-4-methoxy-N-methyl-N-phenylbenzamide
CID 79725609
3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 87027852
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
3-bromo-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzamide
CID 62001887
N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-triethoxybenzamide
CID 1346461
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110287953
3-bromo-4-methoxy-N-methyl-N-pyridin-4-ylbenzamide
CID 106935938
N-[1-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 51267088
N-(2-aminopropyl)-3,4,5-trimethoxy-N-methylbenzamide
CID 63755028

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-trimethoxy-N-methylbenzamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-trimethoxy-N-methylbenzamide (CID 113094837) is N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-trimethoxy-N-methylbenzamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-trimethoxy-N-methylbenzamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-trimethoxy-N-methylbenzamide is COc1cc(C(=O)N(C)c2ccc(N(C)C(C)=O)cc2)cc(OC)c1OC.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-trimethoxy-N-methylbenzamide?
The InChIKey is HCHOUMBHDQNEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-13(23)21(2)15-7-9-16(10-8-15)22(3)20(24)14-11-17(25-4)19(27-6)18(12-14)26-5/h7-12H,1-6H3.
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-trimethoxy-N-methylbenzamide?
N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-trimethoxy-N-methylbenzamide has a molecular weight of 372.42 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-trimethoxy-N-methylbenzamide is sourced from PubChem (CID 113094837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).