methyl 5-[[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]methyl]-2-methylfuran-3-carboxylate

C22H22N2O6 — CID 55612597

IUPACmethyl 5-[[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)oc1C
InChIInChI=1S/C22H22N2O6/c1-14-17(22(27)28-2)12-16(30-14)13-23-20(25)18(11-15-7-4-3-5-8-15)24-21(26)19-9-6-10-29-19/h3-10,12,18H,11,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyYIDGBNBIVZZXFY-UHFFFAOYSA-N
MW410.43 g/mol
LogP2.63
Rot. Bonds8

About methyl 5-[[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 55612597) has the molecular formula C22H22N2O6 and a molecular weight of 410.43 g/mol. Its IUPAC name is methyl 5-[[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]methyl]-2-methylfuran-3-carboxylate
PubChem CID55612597
Molecular FormulaC22H22N2O6
Molecular Weight410.43 g/mol
Exact Mass410.15
IUPAC Namemethyl 5-[[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)oc1C
InChIInChI=1S/C22H22N2O6/c1-14-17(22(27)28-2)12-16(30-14)13-23-20(25)18(11-15-7-4-3-5-8-15)24-21(26)19-9-6-10-29-19/h3-10,12,18H,11,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyYIDGBNBIVZZXFY-UHFFFAOYSA-N
XLogP2.63
TPSA110.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]methyl]-2-methylfuran-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46542128
N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 71934697
N-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 30600892
N-[(2R)-1-[2-(2-methylpropanoylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31011970
2-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]acetic acid
CID 124704803
N-[1-oxo-3-phenyl-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]propan-2-yl]furan-2-carboxamide
CID 46475647
N-[1-[(5-ethylthiophen-2-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46476107
N-[(2S)-1-oxo-3-phenyl-1-[[2-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]furan-2-carboxamide
CID 34553727
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 119629009
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
N-[1-oxo-3-phenyl-1-(3-phenylprop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 51332524
methyl 5-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 81400076

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]methyl]-2-methylfuran-3-carboxylate (CID 55612597) is methyl 5-[[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CNC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)oc1C.
What is the InChIKey of methyl 5-[[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is YIDGBNBIVZZXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6/c1-14-17(22(27)28-2)12-16(30-14)13-23-20(25)18(11-15-7-4-3-5-8-15)24-21(26)19-9-6-10-29-19/h3-10,12,18H,11,13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of methyl 5-[[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 410.43 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 55612597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).