methyl 2-[[4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate

C25H24N2O4 — CID 75769582

IUPACmethyl 2-[[4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1cc2occc2n1Cc1ccc(C)cc1
InChIInChI=1S/C25H24N2O4/c1-17-8-10-19(11-9-17)16-27-21-12-13-31-23(21)15-22(27)24(28)26-20(25(29)30-2)14-18-6-4-3-5-7-18/h3-13,15,20H,14,16H2,1-2H3,(H,26,28)
InChIKeySSCNWXLYSATHLA-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.11
Rot. Bonds7

About methyl 2-[[4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate

methyl 2-[[4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate (PubChem CID 75769582) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is methyl 2-[[4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
PubChem CID75769582
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Namemethyl 2-[[4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1cc2occc2n1Cc1ccc(C)cc1
InChIInChI=1S/C25H24N2O4/c1-17-8-10-19(11-9-17)16-27-21-12-13-31-23(21)15-22(27)24(28)26-20(25(29)30-2)14-18-6-4-3-5-7-18/h3-13,15,20H,14,16H2,1-2H3,(H,26,28)
InChIKeySSCNWXLYSATHLA-UHFFFAOYSA-N
XLogP4.11
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate with MolForge

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Related Compounds

methyl (2R)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
CID 51718452
methyl (2S)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
CID 51718453
methyl (2R)-2-[(4-benzylfuro[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate
CID 51974065
methyl 2-[[4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
CID 75769576
4-[(2,5-dimethylphenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 7201900
[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-methylbenzoate
CID 55397418
methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate
CID 3350942
methyl (2S)-2-[3-(4-methylphenyl)sulfonylpropanoylamino]-3-phenylpropanoate
CID 9375743
methyl (2S)-2-[(1-benzylpyrazole-4-carbonyl)amino]-3-phenylpropanoate
CID 27228320
methyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-phenylpropanoate
CID 20624106
methyl (2S)-2-[[5-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]thiophene-2-carbonyl]amino]-3-phenylpropanoate
CID 139079472
methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-phenylpropanoate
CID 40744068

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl 2-[[4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate (CID 75769582) is methyl 2-[[4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[[4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[[4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)NC(=O)c1cc2occc2n1Cc1ccc(C)cc1.
What is the InChIKey of methyl 2-[[4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate?
The InChIKey is SSCNWXLYSATHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-17-8-10-19(11-9-17)16-27-21-12-13-31-23(21)15-22(27)24(28)26-20(25(29)30-2)14-18-6-4-3-5-7-18/h3-13,15,20H,14,16H2,1-2H3,(H,26,28).
What are the key properties of methyl 2-[[4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate?
methyl 2-[[4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate has a molecular weight of 416.48 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 75769582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).