methyl 2-[3-(furan-2-carbonylamino)propanoylamino]-4,5-dimethoxybenzoate

C18H20N2O7 — CID 4788337

IUPACmethyl 2-[3-(furan-2-carbonylamino)propanoylamino]-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C18H20N2O7/c1-24-14-9-11(18(23)26-3)12(10-15(14)25-2)20-16(21)6-7-19-17(22)13-5-4-8-27-13/h4-5,8-10H,6-7H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyOTTHLGQVVGQDLK-UHFFFAOYSA-N
MW376.37 g/mol
LogP1.84
Rot. Bonds8

About methyl 2-[3-(furan-2-carbonylamino)propanoylamino]-4,5-dimethoxybenzoate

methyl 2-[3-(furan-2-carbonylamino)propanoylamino]-4,5-dimethoxybenzoate (PubChem CID 4788337) has the molecular formula C18H20N2O7 and a molecular weight of 376.37 g/mol. Its IUPAC name is methyl 2-[3-(furan-2-carbonylamino)propanoylamino]-4,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[3-(furan-2-carbonylamino)propanoylamino]-4,5-dimethoxybenzoate
PubChem CID4788337
Molecular FormulaC18H20N2O7
Molecular Weight376.37 g/mol
Exact Mass376.13
IUPAC Namemethyl 2-[3-(furan-2-carbonylamino)propanoylamino]-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C18H20N2O7/c1-24-14-9-11(18(23)26-3)12(10-15(14)25-2)20-16(21)6-7-19-17(22)13-5-4-8-27-13/h4-5,8-10H,6-7H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyOTTHLGQVVGQDLK-UHFFFAOYSA-N
XLogP1.84
TPSA116.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4,5-dimethoxy-2-[2-(methylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide;hydrochloride
CID 119501659
2-hydroxyethyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 24530674
[2-(carbamoylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 16534373
N-[3-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 8901422
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 3998206
N-[3-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide
CID 4817035
methyl 4-chloro-3-[4-(furan-2-carbonylamino)butanoylamino]benzoate
CID 31891304
N-[3-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]furan-2-carboxamide
CID 26457203
methyl 4,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 5305505
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 30758901
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 2627097
methyl 4,5-dimethoxy-2-[4-(methylamino)butanoylamino]benzoate;hydrochloride
CID 119677751

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(furan-2-carbonylamino)propanoylamino]-4,5-dimethoxybenzoate?
The IUPAC name of methyl 2-[3-(furan-2-carbonylamino)propanoylamino]-4,5-dimethoxybenzoate (CID 4788337) is methyl 2-[3-(furan-2-carbonylamino)propanoylamino]-4,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-[3-(furan-2-carbonylamino)propanoylamino]-4,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-[3-(furan-2-carbonylamino)propanoylamino]-4,5-dimethoxybenzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCNC(=O)c1ccco1.
What is the InChIKey of methyl 2-[3-(furan-2-carbonylamino)propanoylamino]-4,5-dimethoxybenzoate?
The InChIKey is OTTHLGQVVGQDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O7/c1-24-14-9-11(18(23)26-3)12(10-15(14)25-2)20-16(21)6-7-19-17(22)13-5-4-8-27-13/h4-5,8-10H,6-7H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of methyl 2-[3-(furan-2-carbonylamino)propanoylamino]-4,5-dimethoxybenzoate?
methyl 2-[3-(furan-2-carbonylamino)propanoylamino]-4,5-dimethoxybenzoate has a molecular weight of 376.37 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(furan-2-carbonylamino)propanoylamino]-4,5-dimethoxybenzoate is sourced from PubChem (CID 4788337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).