methyl 4-[2-[furan-2-carbonyl(methyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate

C18H22N2O5 — CID 42677625

IUPACmethyl 4-[2-[furan-2-carbonyl(methyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(C)c(C(=O)C(C)N(C)C(=O)c2ccco2)c(C)n1C
InChIInChI=1S/C18H22N2O5/c1-10-14(11(2)19(4)15(10)18(23)24-6)16(21)12(3)20(5)17(22)13-8-7-9-25-13/h7-9,12H,1-6H3
InChIKeyYYTGIVDHQZVRAN-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.36
Rot. Bonds5

About methyl 4-[2-[furan-2-carbonyl(methyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate

methyl 4-[2-[furan-2-carbonyl(methyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate (PubChem CID 42677625) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is methyl 4-[2-[furan-2-carbonyl(methyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[furan-2-carbonyl(methyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
PubChem CID42677625
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Namemethyl 4-[2-[furan-2-carbonyl(methyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(C)c(C(=O)C(C)N(C)C(=O)c2ccco2)c(C)n1C
InChIInChI=1S/C18H22N2O5/c1-10-14(11(2)19(4)15(10)18(23)24-6)16(21)12(3)20(5)17(22)13-8-7-9-25-13/h7-9,12H,1-6H3
InChIKeyYYTGIVDHQZVRAN-UHFFFAOYSA-N
XLogP2.36
TPSA81.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[2-[(4-methoxybenzoyl)-methylamino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42666667
ethyl 1-ethyl-4-[2-[furan-2-carbonyl(methyl)amino]propanoyl]-3,5-dimethylpyrrole-2-carboxylate
CID 42679851
ethyl 4-[2-[furan-2-carbonyl(furan-2-ylmethyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42675948
methyl 4-[2-[ethylcarbamoyl(methyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42823544
methyl 4-[2-[furan-2-ylmethyl(3-methylbutanoyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42677425
methyl 1,3,5-trimethyl-4-[(2R)-2-[methyl-[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]propanoyl]pyrrole-2-carboxylate
CID 11922989
methyl 1-ethyl-4-[2-[furan-2-carbonyl(3-methylbutyl)amino]propanoyl]-3,5-dimethylpyrrole-2-carboxylate
CID 42679489
methyl 4-[(2R)-2-[benzoyl(propan-2-yl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 93144355
methyl 4-[2-[1,3-benzodioxole-5-carbonyl(furan-2-ylmethyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42677434
ethyl 4-[2-[(4-fluorobenzoyl)-methylamino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42679971
methyl 4-[(2S)-2-[acetyl(propyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 93144441
methyl 4-[2-[benzoyl(cyclohexyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42679333

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[furan-2-carbonyl(methyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-[2-[furan-2-carbonyl(methyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate (CID 42677625) is methyl 4-[2-[furan-2-carbonyl(methyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[2-[furan-2-carbonyl(methyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[2-[furan-2-carbonyl(methyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate is COC(=O)c1c(C)c(C(=O)C(C)N(C)C(=O)c2ccco2)c(C)n1C.
What is the InChIKey of methyl 4-[2-[furan-2-carbonyl(methyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The InChIKey is YYTGIVDHQZVRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-10-14(11(2)19(4)15(10)18(23)24-6)16(21)12(3)20(5)17(22)13-8-7-9-25-13/h7-9,12H,1-6H3.
What are the key properties of methyl 4-[2-[furan-2-carbonyl(methyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
methyl 4-[2-[furan-2-carbonyl(methyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate has a molecular weight of 346.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[furan-2-carbonyl(methyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate is sourced from PubChem (CID 42677625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).