methyl 3-[[2-[4-(1-benzofuran-2-carbonylamino)phenyl]acetyl]amino]propanoate

C21H20N2O5 — CID 60572698

IUPACmethyl 3-[[2-[4-(1-benzofuran-2-carbonylamino)phenyl]acetyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C21H20N2O5/c1-27-20(25)10-11-22-19(24)12-14-6-8-16(9-7-14)23-21(26)18-13-15-4-2-3-5-17(15)28-18/h2-9,13H,10-12H2,1H3,(H,22,24)(H,23,26)
InChIKeyYAAAWHCFFXRTSP-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.91
Rot. Bonds7

About methyl 3-[[2-[4-(1-benzofuran-2-carbonylamino)phenyl]acetyl]amino]propanoate

methyl 3-[[2-[4-(1-benzofuran-2-carbonylamino)phenyl]acetyl]amino]propanoate (PubChem CID 60572698) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is methyl 3-[[2-[4-(1-benzofuran-2-carbonylamino)phenyl]acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-[4-(1-benzofuran-2-carbonylamino)phenyl]acetyl]amino]propanoate
PubChem CID60572698
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Namemethyl 3-[[2-[4-(1-benzofuran-2-carbonylamino)phenyl]acetyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C21H20N2O5/c1-27-20(25)10-11-22-19(24)12-14-6-8-16(9-7-14)23-21(26)18-13-15-4-2-3-5-17(15)28-18/h2-9,13H,10-12H2,1H3,(H,22,24)(H,23,26)
InChIKeyYAAAWHCFFXRTSP-UHFFFAOYSA-N
XLogP2.91
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-[4-(1-benzofuran-2-carbonylamino)phenyl]acetyl]amino]propanoate with MolForge

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Related Compounds

N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60572574
N-[4-[2-(3-anilinopropylamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 56586618
N-[4-[2-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 56559124
N-[4-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60572471
[4-(1-benzofuran-2-carbonylamino)phenyl] acetate
CID 6457571
N-[4-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60571787
N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]phenyl]-1-benzofuran-2-carboxamide
CID 119536846
N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60572617
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
N-[2-methoxy-4-[(2-phenylacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 1349630
N-[2-(4-methylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 20857004
N-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60571464

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[4-(1-benzofuran-2-carbonylamino)phenyl]acetyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-[4-(1-benzofuran-2-carbonylamino)phenyl]acetyl]amino]propanoate (CID 60572698) is methyl 3-[[2-[4-(1-benzofuran-2-carbonylamino)phenyl]acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-[4-(1-benzofuran-2-carbonylamino)phenyl]acetyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-[4-(1-benzofuran-2-carbonylamino)phenyl]acetyl]amino]propanoate is COC(=O)CCNC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of methyl 3-[[2-[4-(1-benzofuran-2-carbonylamino)phenyl]acetyl]amino]propanoate?
The InChIKey is YAAAWHCFFXRTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-27-20(25)10-11-22-19(24)12-14-6-8-16(9-7-14)23-21(26)18-13-15-4-2-3-5-17(15)28-18/h2-9,13H,10-12H2,1H3,(H,22,24)(H,23,26).
What are the key properties of methyl 3-[[2-[4-(1-benzofuran-2-carbonylamino)phenyl]acetyl]amino]propanoate?
methyl 3-[[2-[4-(1-benzofuran-2-carbonylamino)phenyl]acetyl]amino]propanoate has a molecular weight of 380.40 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[4-(1-benzofuran-2-carbonylamino)phenyl]acetyl]amino]propanoate is sourced from PubChem (CID 60572698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).