ethyl 4-carbamoyl-5-[[2-(2,5-dimethylbenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate

C20H22N2O7 — CID 9229093

IUPACethyl 4-carbamoyl-5-[[2-(2,5-dimethylbenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)COC(=O)c2cc(C)ccc2C)c1C(N)=O
InChIInChI=1S/C20H22N2O7/c1-5-27-20(26)15-12(4)29-18(16(15)17(21)24)22-14(23)9-28-19(25)13-8-10(2)6-7-11(13)3/h6-8H,5,9H2,1-4H3,(H2,21,24)(H,22,23)
InChIKeyBXTARAOIWLGVSY-UHFFFAOYSA-N
MW402.40 g/mol
LogP2.28
Rot. Bonds7

About ethyl 4-carbamoyl-5-[[2-(2,5-dimethylbenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate

ethyl 4-carbamoyl-5-[[2-(2,5-dimethylbenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate (PubChem CID 9229093) has the molecular formula C20H22N2O7 and a molecular weight of 402.40 g/mol. Its IUPAC name is ethyl 4-carbamoyl-5-[[2-(2,5-dimethylbenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-carbamoyl-5-[[2-(2,5-dimethylbenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate
PubChem CID9229093
Molecular FormulaC20H22N2O7
Molecular Weight402.40 g/mol
Exact Mass402.14
IUPAC Nameethyl 4-carbamoyl-5-[[2-(2,5-dimethylbenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)COC(=O)c2cc(C)ccc2C)c1C(N)=O
InChIInChI=1S/C20H22N2O7/c1-5-27-20(26)15-12(4)29-18(16(15)17(21)24)22-14(23)9-28-19(25)13-8-10(2)6-7-11(13)3/h6-8H,5,9H2,1-4H3,(H2,21,24)(H,22,23)
InChIKeyBXTARAOIWLGVSY-UHFFFAOYSA-N
XLogP2.28
TPSA137.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-carbamoyl-2-methyl-5-[[2-(2-methylbenzoyl)oxyacetyl]amino]furan-3-carboxylate
CID 9202543
ethyl 4-carbamoyl-2-methyl-5-[[2-[(E)-3-(4-methylphenyl)prop-2-enoyl]oxyacetyl]amino]furan-3-carboxylate
CID 8885678
ethyl 4-carbamoyl-5-[[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate
CID 9203357
[2-[(3-carbamoyl-4-ethoxycarbonyl-5-methylfuran-2-yl)amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 8644159
ethyl 4-carbamoyl-2-methyl-5-[(2-phenoxyacetyl)amino]furan-3-carboxylate
CID 108733676
ethyl 4-carbamoyl-5-[[2-[2-(4-methoxyphenyl)acetyl]oxyacetyl]amino]-2-methylfuran-3-carboxylate
CID 9201262
diethyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-5-methylfuran-3,4-dicarboxylate
CID 108762186
[2-(carbamoylamino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519687
ethyl 4-carbamoyl-5-[[2-[(1S)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-2-methylfuran-3-carboxylate
CID 8566868
(2-anilino-2-oxoethyl) 2,5-dimethylbenzoate
CID 2519928
ethyl 4-carbamoyl-2-methyl-5-[[6-(4-methylphenyl)pyridazin-3-yl]amino]furan-3-carboxylate
CID 108774195
[2-(2,6-diethylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 7747216

Frequently Asked Questions

What is the IUPAC name of ethyl 4-carbamoyl-5-[[2-(2,5-dimethylbenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate?
The IUPAC name of ethyl 4-carbamoyl-5-[[2-(2,5-dimethylbenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate (CID 9229093) is ethyl 4-carbamoyl-5-[[2-(2,5-dimethylbenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate.
What is the SMILES notation for ethyl 4-carbamoyl-5-[[2-(2,5-dimethylbenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate?
The canonical SMILES for ethyl 4-carbamoyl-5-[[2-(2,5-dimethylbenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate is CCOC(=O)c1c(C)oc(NC(=O)COC(=O)c2cc(C)ccc2C)c1C(N)=O.
What is the InChIKey of ethyl 4-carbamoyl-5-[[2-(2,5-dimethylbenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate?
The InChIKey is BXTARAOIWLGVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O7/c1-5-27-20(26)15-12(4)29-18(16(15)17(21)24)22-14(23)9-28-19(25)13-8-10(2)6-7-11(13)3/h6-8H,5,9H2,1-4H3,(H2,21,24)(H,22,23).
What are the key properties of ethyl 4-carbamoyl-5-[[2-(2,5-dimethylbenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate?
ethyl 4-carbamoyl-5-[[2-(2,5-dimethylbenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate has a molecular weight of 402.40 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-carbamoyl-5-[[2-(2,5-dimethylbenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 9229093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).