[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate

C21H26N4O5 — CID 8886433

IUPAC[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)COC(=O)c1cccn1C
InChIInChI=1S/C21H26N4O5/c1-23-9-3-4-18(23)21(28)30-15-20(27)24(2)14-19(26)22-16-5-7-17(8-6-16)25-10-12-29-13-11-25/h3-9H,10-15H2,1-2H3,(H,22,26)
InChIKeyMFWWDLOYMKCGNG-UHFFFAOYSA-N
MW414.46 g/mol
LogP1.12
Rot. Bonds7

About [2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate

[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate (PubChem CID 8886433) has the molecular formula C21H26N4O5 and a molecular weight of 414.46 g/mol. Its IUPAC name is [2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
PubChem CID8886433
Molecular FormulaC21H26N4O5
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC Name[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)COC(=O)c1cccn1C
InChIInChI=1S/C21H26N4O5/c1-23-9-3-4-18(23)21(28)30-15-20(27)24(2)14-19(26)22-16-5-7-17(8-6-16)25-10-12-29-13-11-25/h3-9H,10-15H2,1-2H3,(H,22,26)
InChIKeyMFWWDLOYMKCGNG-UHFFFAOYSA-N
XLogP1.12
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4820757
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 7554022
2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 9200812
2-[[2-(2,5-dimethylphenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 7551228
3-acetamido-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 9409522
2-[[2-(2,4-dichlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4820741
N-[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 71944686
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 8592798
2-hydroxy-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 51143460
4-cyclohexyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide
CID 9409582
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 55328599

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The IUPAC name of [2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate (CID 8886433) is [2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate.
What is the SMILES notation for [2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The canonical SMILES for [2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate is CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)COC(=O)c1cccn1C.
What is the InChIKey of [2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The InChIKey is MFWWDLOYMKCGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5/c1-23-9-3-4-18(23)21(28)30-15-20(27)24(2)14-19(26)22-16-5-7-17(8-6-16)25-10-12-29-13-11-25/h3-9H,10-15H2,1-2H3,(H,22,26).
What are the key properties of [2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate has a molecular weight of 414.46 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 8886433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).