methyl 5-[2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

C22H29N3O5 — CID 9168578

IUPACmethyl 5-[2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCCCN(CC(=O)Nc1ccccc1OC)CC(=O)c1[nH]c(C)c(C(=O)OC)c1C
InChIInChI=1S/C22H29N3O5/c1-6-11-25(13-19(27)24-16-9-7-8-10-18(16)29-4)12-17(26)21-14(2)20(15(3)23-21)22(28)30-5/h7-10,23H,6,11-13H2,1-5H3,(H,24,27)
InChIKeyYLZINIFBIFIEHA-UHFFFAOYSA-N
MW415.49 g/mol
LogP2.96
Rot. Bonds10

About methyl 5-[2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

methyl 5-[2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 9168578) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is methyl 5-[2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
PubChem CID9168578
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC Namemethyl 5-[2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCCCN(CC(=O)Nc1ccccc1OC)CC(=O)c1[nH]c(C)c(C(=O)OC)c1C
InChIInChI=1S/C22H29N3O5/c1-6-11-25(13-19(27)24-16-9-7-8-10-18(16)29-4)12-17(26)21-14(2)20(15(3)23-21)22(28)30-5/h7-10,23H,6,11-13H2,1-5H3,(H,24,27)
InChIKeyYLZINIFBIFIEHA-UHFFFAOYSA-N
XLogP2.96
TPSA100.73 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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 5-[2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

4-O-ethyl 2-O-[2-(2-methoxyanilino)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2483229
2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide
CID 78820994
N-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 9168900
2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-prop-2-enylacetamide
CID 27239631
N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 27098874
2-[bis(2-hydroxyethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 18870897
2-O-[2-(2-methoxyanilino)-2-oxoethyl] 4-O-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate
CID 30209601
methyl 2,4-dimethyl-5-[2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetyl]-1H-pyrrole-3-carboxylate
CID 9197590
[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9105216
2-[[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 78818986
2-[(3-chloro-4-methylquinolin-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide
CID 24574878
2-[butyl(methyl)amino]-N-(2-methoxyphenyl)acetamide
CID 109006138

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-[2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CID 9168578) is methyl 5-[2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-[2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-[2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is CCCN(CC(=O)Nc1ccccc1OC)CC(=O)c1[nH]c(C)c(C(=O)OC)c1C.
What is the InChIKey of methyl 5-[2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The InChIKey is YLZINIFBIFIEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5/c1-6-11-25(13-19(27)24-16-9-7-8-10-18(16)29-4)12-17(26)21-14(2)20(15(3)23-21)22(28)30-5/h7-10,23H,6,11-13H2,1-5H3,(H,24,27).
What are the key properties of methyl 5-[2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
methyl 5-[2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 415.49 g/mol, XLogP of 2.96, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 9168578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).