[2-(dimethylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate

C18H20N2O7 — CID 2105065

IUPAC[2-(dimethylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)N(C)C)cc(NC(=O)c2ccco2)c1OC
InChIInChI=1S/C18H20N2O7/c1-20(2)15(21)10-27-18(23)11-8-12(16(25-4)14(9-11)24-3)19-17(22)13-6-5-7-26-13/h5-9H,10H2,1-4H3,(H,19,22)
InChIKeyPFZFBLRZEVBPMO-UHFFFAOYSA-N
MW376.37 g/mol
LogP1.79
Rot. Bonds7

About [2-(dimethylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate

[2-(dimethylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate (PubChem CID 2105065) has the molecular formula C18H20N2O7 and a molecular weight of 376.37 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
PubChem CID2105065
Molecular FormulaC18H20N2O7
Molecular Weight376.37 g/mol
Exact Mass376.13
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)N(C)C)cc(NC(=O)c2ccco2)c1OC
InChIInChI=1S/C18H20N2O7/c1-20(2)15(21)10-27-18(23)11-8-12(16(25-4)14(9-11)24-3)19-17(22)13-6-5-7-26-13/h5-9H,10H2,1-4H3,(H,19,22)
InChIKeyPFZFBLRZEVBPMO-UHFFFAOYSA-N
XLogP1.79
TPSA107.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(diethylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2559432
N-[2-methoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 2886874
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 55318274
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7544411
(2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2605474
N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 126008403
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate
CID 9125715
[2-(carbamoylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 16534373
[2-(4-methylphenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 23937853
N-[5-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 4788258
N-[2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 2913347
2-hydroxyethyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 24530674

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate (CID 2105065) is [2-(dimethylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate is COc1cc(C(=O)OCC(=O)N(C)C)cc(NC(=O)c2ccco2)c1OC.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate?
The InChIKey is PFZFBLRZEVBPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O7/c1-20(2)15(21)10-27-18(23)11-8-12(16(25-4)14(9-11)24-3)19-17(22)13-6-5-7-26-13/h5-9H,10H2,1-4H3,(H,19,22).
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate?
[2-(dimethylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate has a molecular weight of 376.37 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate is sourced from PubChem (CID 2105065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).