methyl 2-[[3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoyl]amino]acetate

C22H20N2O6 — CID 55750582

IUPACmethyl 2-[[3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cccc(NC(=O)c2occc2COc2ccccc2)c1
InChIInChI=1S/C22H20N2O6/c1-28-19(25)13-23-21(26)15-6-5-7-17(12-15)24-22(27)20-16(10-11-29-20)14-30-18-8-3-2-4-9-18/h2-12H,13-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyGGPLRGYOMJQPDR-UHFFFAOYSA-N
MW408.41 g/mol
LogP3.01
Rot. Bonds8

About methyl 2-[[3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoyl]amino]acetate

methyl 2-[[3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoyl]amino]acetate (PubChem CID 55750582) has the molecular formula C22H20N2O6 and a molecular weight of 408.41 g/mol. Its IUPAC name is methyl 2-[[3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoyl]amino]acetate
PubChem CID55750582
Molecular FormulaC22H20N2O6
Molecular Weight408.41 g/mol
Exact Mass408.13
IUPAC Namemethyl 2-[[3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cccc(NC(=O)c2occc2COc2ccccc2)c1
InChIInChI=1S/C22H20N2O6/c1-28-19(25)13-23-21(26)15-6-5-7-17(12-15)24-22(27)20-16(10-11-29-20)14-30-18-8-3-2-4-9-18/h2-12H,13-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyGGPLRGYOMJQPDR-UHFFFAOYSA-N
XLogP3.01
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoyl]amino]acetate with MolForge

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Related Compounds

ethyl 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoate
CID 34202497
N-[3-(cyclopropanecarbonylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 30804525
3-(phenoxymethyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]furan-2-carboxamide
CID 38668380
N-(1,3-benzodioxol-5-yl)-3-(phenoxymethyl)furan-2-carboxamide
CID 25398439
N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
N-[[3-(methoxymethyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46487559
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 55564411
N-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 47079474
methyl 2-[[5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]acetate
CID 51001380
N-(2,4-difluorophenyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 17493088
N-(2,4-dimethylphenyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 17454230
N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoyl]amino]acetate (CID 55750582) is methyl 2-[[3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoyl]amino]acetate is COC(=O)CNC(=O)c1cccc(NC(=O)c2occc2COc2ccccc2)c1.
What is the InChIKey of methyl 2-[[3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoyl]amino]acetate?
The InChIKey is GGPLRGYOMJQPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O6/c1-28-19(25)13-23-21(26)15-6-5-7-17(12-15)24-22(27)20-16(10-11-29-20)14-30-18-8-3-2-4-9-18/h2-12H,13-14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of methyl 2-[[3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoyl]amino]acetate?
methyl 2-[[3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoyl]amino]acetate has a molecular weight of 408.41 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoyl]amino]acetate is sourced from PubChem (CID 55750582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).