2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

C22H29N3O5 — CID 8786276

IUPAC2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CN(C)CC(=O)Nc2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C22H29N3O5/c1-15-6-8-17(9-7-15)24-21(27)14-25(2)13-20(26)23-12-16-10-18(28-3)22(30-5)19(11-16)29-4/h6-11H,12-14H2,1-5H3,(H,23,26)(H,24,27)
InChIKeyJIJLOHUWZAPSBO-UHFFFAOYSA-N
MW415.49 g/mol
LogP2.21
Rot. Bonds10

About 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 8786276) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID8786276
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC Name2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CN(C)CC(=O)Nc2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C22H29N3O5/c1-15-6-8-17(9-7-15)24-21(27)14-25(2)13-20(26)23-12-16-10-18(28-3)22(30-5)19(11-16)29-4/h6-11H,12-14H2,1-5H3,(H,23,26)(H,24,27)
InChIKeyJIJLOHUWZAPSBO-UHFFFAOYSA-N
XLogP2.21
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
CID 8729621
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
CID 8786139
N-[[4-(methoxymethyl)phenyl]methyl]-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
CID 87012824
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 27242216
3-(4-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 16574584
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 2571968
2-[(2,5-dimethoxyphenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8786291
N-[(4-fluorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 9222928
N-[(4-chlorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658290
2-[methyl(naphthalen-2-ylmethyl)amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 26626298
1-(4-iodophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 3547094
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4884121

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 8786276) is 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(CNC(=O)CN(C)CC(=O)Nc2ccc(C)cc2)cc(OC)c1OC.
What is the InChIKey of 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is JIJLOHUWZAPSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5/c1-15-6-8-17(9-7-15)24-21(27)14-25(2)13-20(26)23-12-16-10-18(28-3)22(30-5)19(11-16)29-4/h6-11H,12-14H2,1-5H3,(H,23,26)(H,24,27).
What are the key properties of 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 415.49 g/mol, XLogP of 2.21, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 8786276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).