methyl 2-[[2-[4-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]phenyl]acetyl]amino]acetate

C23H25N3O5 — CID 60555964

IUPACmethyl 2-[[2-[4-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]phenyl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1ccc(NC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1
InChIInChI=1S/C23H25N3O5/c1-15-11-20(16(2)26(15)14-19-5-4-10-31-19)23(29)25-18-8-6-17(7-9-18)12-21(27)24-13-22(28)30-3/h4-11H,12-14H2,1-3H3,(H,24,27)(H,25,29)
InChIKeyYWFCMEYDWOQXFB-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.83
Rot. Bonds8

About methyl 2-[[2-[4-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]phenyl]acetyl]amino]acetate

methyl 2-[[2-[4-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]phenyl]acetyl]amino]acetate (PubChem CID 60555964) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is methyl 2-[[2-[4-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]phenyl]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]phenyl]acetyl]amino]acetate
PubChem CID60555964
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Namemethyl 2-[[2-[4-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]phenyl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1ccc(NC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1
InChIInChI=1S/C23H25N3O5/c1-15-11-20(16(2)26(15)14-19-5-4-10-31-19)23(29)25-18-8-6-17(7-9-18)12-21(27)24-13-22(28)30-3/h4-11H,12-14H2,1-3H3,(H,24,27)(H,25,29)
InChIKeyYWFCMEYDWOQXFB-UHFFFAOYSA-N
XLogP2.83
TPSA102.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-[4-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]phenyl]acetyl]amino]acetate with MolForge

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Related Compounds

N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 30683396
[2-(4-ethylanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8731544
1-(furan-2-ylmethyl)-2,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]pyrrole-3-carboxamide
CID 47008466
methyl 2-[[2-[4-[[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 60555908
1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide
CID 34478434
1-(furan-2-ylmethyl)-2,5-dimethyl-N-quinolin-6-ylpyrrole-3-carboxamide
CID 60556111
1-(furan-2-ylmethyl)-2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrole-3-carboxamide
CID 32967693
methyl 3-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]-4-methylbenzoate
CID 30994661
N'-(4-ethylbenzoyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbohydrazide
CID 134049178
(5-methoxycarbonylfuran-2-yl)methyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8732098
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 30994481
methyl 2-[[2-[4-[[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 55781629

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]phenyl]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[4-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]phenyl]acetyl]amino]acetate (CID 60555964) is methyl 2-[[2-[4-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]phenyl]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[4-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]phenyl]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[4-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]phenyl]acetyl]amino]acetate is COC(=O)CNC(=O)Cc1ccc(NC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1.
What is the InChIKey of methyl 2-[[2-[4-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]phenyl]acetyl]amino]acetate?
The InChIKey is YWFCMEYDWOQXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-15-11-20(16(2)26(15)14-19-5-4-10-31-19)23(29)25-18-8-6-17(7-9-18)12-21(27)24-13-22(28)30-3/h4-11H,12-14H2,1-3H3,(H,24,27)(H,25,29).
What are the key properties of methyl 2-[[2-[4-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]phenyl]acetyl]amino]acetate?
methyl 2-[[2-[4-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]phenyl]acetyl]amino]acetate has a molecular weight of 423.47 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]phenyl]acetyl]amino]acetate is sourced from PubChem (CID 60555964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).