methyl 4-[[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]methyl]benzoate

C19H20N2O7 — CID 7909212

IUPACmethyl 4-[[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)COC(=O)CCNC(=O)c2ccco2)cc1
InChIInChI=1S/C19H20N2O7/c1-26-19(25)14-6-4-13(5-7-14)11-21-16(22)12-28-17(23)8-9-20-18(24)15-3-2-10-27-15/h2-7,10H,8-9,11-12H2,1H3,(H,20,24)(H,21,22)
InChIKeyDEGTZBMADKSADZ-UHFFFAOYSA-N
MW388.38 g/mol
LogP1.05
Rot. Bonds9

About methyl 4-[[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]methyl]benzoate

methyl 4-[[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]methyl]benzoate (PubChem CID 7909212) has the molecular formula C19H20N2O7 and a molecular weight of 388.38 g/mol. Its IUPAC name is methyl 4-[[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]methyl]benzoate
PubChem CID7909212
Molecular FormulaC19H20N2O7
Molecular Weight388.38 g/mol
Exact Mass388.13
IUPAC Namemethyl 4-[[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)COC(=O)CCNC(=O)c2ccco2)cc1
InChIInChI=1S/C19H20N2O7/c1-26-19(25)14-6-4-13(5-7-14)11-21-16(22)12-28-17(23)8-9-20-18(24)15-3-2-10-27-15/h2-7,10H,8-9,11-12H2,1H3,(H,20,24)(H,21,22)
InChIKeyDEGTZBMADKSADZ-UHFFFAOYSA-N
XLogP1.05
TPSA123.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]methyl]benzoate 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

methyl 5-[3-(furan-2-carbonylamino)propanoyloxymethyl]furan-2-carboxylate
CID 7909054
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7909258
[2-(1H-indol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7909009
[2-(3,4-difluoroanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7909175
1-O-methyl 4-O-[2-[(4-methylphenyl)methylamino]-2-oxoethyl] benzene-1,4-dicarboxylate
CID 7296519
methyl 4-[[[2-[2-[(4-fluorobenzoyl)amino]acetyl]oxyacetyl]amino]methyl]benzoate
CID 7878196
methyl 4-[[[2-[2-(2,6-dichlorophenyl)acetyl]oxyacetyl]amino]methyl]benzoate
CID 8013614
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7908965
N-[3-oxo-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]propyl]furan-2-carboxamide
CID 46456452
ethyl 4-acetyl-2-[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate
CID 27719821
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-[(4-nitrobenzoyl)amino]propanoate
CID 35987408
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7909262

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]methyl]benzoate (CID 7909212) is methyl 4-[[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)COC(=O)CCNC(=O)c2ccco2)cc1.
What is the InChIKey of methyl 4-[[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]methyl]benzoate?
The InChIKey is DEGTZBMADKSADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O7/c1-26-19(25)14-6-4-13(5-7-14)11-21-16(22)12-28-17(23)8-9-20-18(24)15-3-2-10-27-15/h2-7,10H,8-9,11-12H2,1H3,(H,20,24)(H,21,22).
What are the key properties of methyl 4-[[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]methyl]benzoate?
methyl 4-[[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]methyl]benzoate has a molecular weight of 388.38 g/mol, XLogP of 1.05, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]methyl]benzoate is sourced from PubChem (CID 7909212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).