[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate

C22H25N3O5 — CID 40692886

IUPAC[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
SMILESCc1ccc(NC(=O)CN(C)C(=O)COC(=O)CNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C22H25N3O5/c1-16-8-10-18(11-9-16)24-20(27)14-25(2)21(28)15-30-22(29)13-23-19(26)12-17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeySJHNEFIKKWYFEN-UHFFFAOYSA-N
MW411.46 g/mol
LogP1.29
Rot. Bonds9

About [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate

[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate (PubChem CID 40692886) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate.

Molecular Properties

Compound Name[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
PubChem CID40692886
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
SMILESCc1ccc(NC(=O)CN(C)C(=O)COC(=O)CNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C22H25N3O5/c1-16-8-10-18(11-9-16)24-20(27)14-25(2)21(28)15-30-22(29)13-23-19(26)12-17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeySJHNEFIKKWYFEN-UHFFFAOYSA-N
XLogP1.29
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7798834
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-phenylbenzoate
CID 2520530
[2-(4-ethylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8524003
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] cyclopropanecarboxylate
CID 7863239
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7229814
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate
CID 8505889
[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489236
2-[methyl-[2-(2-phenoxyethoxy)acetyl]amino]-N-(4-methylphenyl)acetamide
CID 55702661
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-acetamido-3-(4-methylphenyl)propanoate
CID 55378999
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 40613375
N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 26714971
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-benzamidoacetate
CID 7783318

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate?
The IUPAC name of [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate (CID 40692886) is [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate.
What is the SMILES notation for [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate?
The canonical SMILES for [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate is Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)CNC(=O)Cc2ccccc2)cc1.
What is the InChIKey of [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate?
The InChIKey is SJHNEFIKKWYFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-16-8-10-18(11-9-16)24-20(27)14-25(2)21(28)15-30-22(29)13-23-19(26)12-17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate?
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate has a molecular weight of 411.46 g/mol, XLogP of 1.29, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate is sourced from PubChem (CID 40692886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).