N-(3,4-dimethoxyphenyl)-4-methoxy-3-(2-methylpropanoylamino)benzamide

C20H24N2O5 — CID 118877995

IUPACN-(3,4-dimethoxyphenyl)-4-methoxy-3-(2-methylpropanoylamino)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1NC(=O)C(C)C
InChIInChI=1S/C20H24N2O5/c1-12(2)19(23)22-15-10-13(6-8-16(15)25-3)20(24)21-14-7-9-17(26-4)18(11-14)27-5/h6-12H,1-5H3,(H,21,24)(H,22,23)
InChIKeyFEXILMAUUIPXET-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.56
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-4-methoxy-3-(2-methylpropanoylamino)benzamide

N-(3,4-dimethoxyphenyl)-4-methoxy-3-(2-methylpropanoylamino)benzamide (PubChem CID 118877995) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-methoxy-3-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-methoxy-3-(2-methylpropanoylamino)benzamide
PubChem CID118877995
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC NameN-(3,4-dimethoxyphenyl)-4-methoxy-3-(2-methylpropanoylamino)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1NC(=O)C(C)C
InChIInChI=1S/C20H24N2O5/c1-12(2)19(23)22-15-10-13(6-8-16(15)25-3)20(24)21-14-7-9-17(26-4)18(11-14)27-5/h6-12H,1-5H3,(H,21,24)(H,22,23)
InChIKeyFEXILMAUUIPXET-UHFFFAOYSA-N
XLogP3.56
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]benzamide
CID 6459943
4-methoxy-3-(2-methylpropanoylamino)benzoic acid
CID 63742748
3-(2-bromopropanoylamino)-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 118878020
N-(2-methoxy-5-methylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 46547571
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303
N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide
CID 63212434
N-(5-benzoyl-2-methoxyphenyl)-2-methylpropanamide
CID 56687266
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
4-methoxy-N-[(4-methylphenyl)methyl]-3-(2-methylpropanoylamino)benzamide
CID 157277660
4-chloro-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-3-nitrobenzamide
CID 3330979
N-[4-(carbamothioylamino)-2-methoxyphenyl]-2-methylpropanamide
CID 50882114
N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 16619123

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-methoxy-3-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-methoxy-3-(2-methylpropanoylamino)benzamide (CID 118877995) is N-(3,4-dimethoxyphenyl)-4-methoxy-3-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-methoxy-3-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-methoxy-3-(2-methylpropanoylamino)benzamide is COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1NC(=O)C(C)C.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-methoxy-3-(2-methylpropanoylamino)benzamide?
The InChIKey is FEXILMAUUIPXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-12(2)19(23)22-15-10-13(6-8-16(15)25-3)20(24)21-14-7-9-17(26-4)18(11-14)27-5/h6-12H,1-5H3,(H,21,24)(H,22,23).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-methoxy-3-(2-methylpropanoylamino)benzamide?
N-(3,4-dimethoxyphenyl)-4-methoxy-3-(2-methylpropanoylamino)benzamide has a molecular weight of 372.42 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-methoxy-3-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 118877995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).