3-methoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(2-methylpropoxy)benzamide

C22H28N2O5 — CID 9418826

IUPAC3-methoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(2-methylpropoxy)benzamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)c2ccc(OCC(C)C)c(OC)c2)c1
InChIInChI=1S/C22H28N2O5/c1-15(2)14-29-19-10-9-16(11-20(19)28-5)22(26)24(3)13-21(25)23-17-7-6-8-18(12-17)27-4/h6-12,15H,13-14H2,1-5H3,(H,23,25)
InChIKeyCYSFPUHULMGHEN-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.45
Rot. Bonds9

About 3-methoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(2-methylpropoxy)benzamide

3-methoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(2-methylpropoxy)benzamide (PubChem CID 9418826) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-methoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(2-methylpropoxy)benzamide
PubChem CID9418826
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC Name3-methoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(2-methylpropoxy)benzamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)c2ccc(OCC(C)C)c(OC)c2)c1
InChIInChI=1S/C22H28N2O5/c1-15(2)14-29-19-10-9-16(11-20(19)28-5)22(26)24(3)13-21(25)23-17-7-6-8-18(12-17)27-4/h6-12,15H,13-14H2,1-5H3,(H,23,25)
InChIKeyCYSFPUHULMGHEN-UHFFFAOYSA-N
XLogP3.45
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 9418842
N-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 46418355
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 7194627
4-(2-amino-2-oxoethoxy)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 9092005
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9161982
3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
CID 9439299
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
N-(3-methoxyphenyl)-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-methylamino]acetamide
CID 18170716
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethylsulfanyl)benzamide
CID 9091999
2-(2-methoxyphenoxy)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 17079559
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3,4-dimethoxy-N-methylbenzamide
CID 9437901
[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 8540552

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(2-methylpropoxy)benzamide?
The IUPAC name of 3-methoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(2-methylpropoxy)benzamide (CID 9418826) is 3-methoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for 3-methoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(2-methylpropoxy)benzamide?
The canonical SMILES for 3-methoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(2-methylpropoxy)benzamide is COc1cccc(NC(=O)CN(C)C(=O)c2ccc(OCC(C)C)c(OC)c2)c1.
What is the InChIKey of 3-methoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(2-methylpropoxy)benzamide?
The InChIKey is CYSFPUHULMGHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-15(2)14-29-19-10-9-16(11-20(19)28-5)22(26)24(3)13-21(25)23-17-7-6-8-18(12-17)27-4/h6-12,15H,13-14H2,1-5H3,(H,23,25).
What are the key properties of 3-methoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(2-methylpropoxy)benzamide?
3-methoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(2-methylpropoxy)benzamide has a molecular weight of 400.48 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 9418826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).