methyl 2-[[4-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]amino]benzoyl]amino]acetate

C22H26N4O5 — CID 55698862

IUPACmethyl 2-[[4-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C22H26N4O5/c1-14-6-5-7-15(2)20(14)25-18(27)13-26(3)22(30)24-17-10-8-16(9-11-17)21(29)23-12-19(28)31-4/h5-11H,12-13H2,1-4H3,(H,23,29)(H,24,30)(H,25,27)
InChIKeyMDBKLTLKUUACCZ-UHFFFAOYSA-N
MW426.47 g/mol
LogP2.31
Rot. Bonds7

About methyl 2-[[4-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]amino]benzoyl]amino]acetate

methyl 2-[[4-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]amino]benzoyl]amino]acetate (PubChem CID 55698862) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is methyl 2-[[4-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]amino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]amino]benzoyl]amino]acetate
PubChem CID55698862
Molecular FormulaC22H26N4O5
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Namemethyl 2-[[4-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C22H26N4O5/c1-14-6-5-7-15(2)20(14)25-18(27)13-26(3)22(30)24-17-10-8-16(9-11-17)21(29)23-12-19(28)31-4/h5-11H,12-13H2,1-4H3,(H,23,29)(H,24,30)(H,25,27)
InChIKeyMDBKLTLKUUACCZ-UHFFFAOYSA-N
XLogP2.31
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[4-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]amino]benzoyl]amino]acetate with MolForge

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Related Compounds

2-[[4-(cyanomethoxy)phenyl]carbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 55695909
methyl 2-[[4-[(2-iodo-3-methylbenzoyl)amino]benzoyl]amino]acetate
CID 38930563
methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate
CID 2985304
2-[(4-methoxyphenyl)carbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 51226266
4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
CID 2679820
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3,4-dimethoxy-N-methylbenzamide
CID 9437901
4-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenoxy]benzamide
CID 56545372
N-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 27760510
methyl 2-[[4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]benzoyl]amino]acetate
CID 55441060
methyl 3-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]amino]-4-pyrrolidin-1-ylbenzoate
CID 55698408
2-[(4-fluorophenyl)carbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 27869376
N-(2,6-dimethylphenyl)-2-[(2-iodophenyl)carbamoyl-methylamino]acetamide
CID 55697019

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]amino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[4-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]amino]benzoyl]amino]acetate (CID 55698862) is methyl 2-[[4-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]amino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]amino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]amino]benzoyl]amino]acetate is COC(=O)CNC(=O)c1ccc(NC(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of methyl 2-[[4-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]amino]benzoyl]amino]acetate?
The InChIKey is MDBKLTLKUUACCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5/c1-14-6-5-7-15(2)20(14)25-18(27)13-26(3)22(30)24-17-10-8-16(9-11-17)21(29)23-12-19(28)31-4/h5-11H,12-13H2,1-4H3,(H,23,29)(H,24,30)(H,25,27).
What are the key properties of methyl 2-[[4-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]amino]benzoyl]amino]acetate?
methyl 2-[[4-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]amino]benzoyl]amino]acetate has a molecular weight of 426.47 g/mol, XLogP of 2.31, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]amino]benzoyl]amino]acetate is sourced from PubChem (CID 55698862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).