ethyl 4-carbamoyl-2-methyl-5-[[2-(2-methylbenzoyl)oxyacetyl]amino]furan-3-carboxylate

C19H20N2O7 — CID 9202543

IUPACethyl 4-carbamoyl-2-methyl-5-[[2-(2-methylbenzoyl)oxyacetyl]amino]furan-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)COC(=O)c2ccccc2C)c1C(N)=O
InChIInChI=1S/C19H20N2O7/c1-4-26-19(25)14-11(3)28-17(15(14)16(20)23)21-13(22)9-27-18(24)12-8-6-5-7-10(12)2/h5-8H,4,9H2,1-3H3,(H2,20,23)(H,21,22)
InChIKeyKRONALXJMCLNQY-UHFFFAOYSA-N
MW388.38 g/mol
LogP1.97
Rot. Bonds7

About ethyl 4-carbamoyl-2-methyl-5-[[2-(2-methylbenzoyl)oxyacetyl]amino]furan-3-carboxylate

ethyl 4-carbamoyl-2-methyl-5-[[2-(2-methylbenzoyl)oxyacetyl]amino]furan-3-carboxylate (PubChem CID 9202543) has the molecular formula C19H20N2O7 and a molecular weight of 388.38 g/mol. Its IUPAC name is ethyl 4-carbamoyl-2-methyl-5-[[2-(2-methylbenzoyl)oxyacetyl]amino]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-carbamoyl-2-methyl-5-[[2-(2-methylbenzoyl)oxyacetyl]amino]furan-3-carboxylate
PubChem CID9202543
Molecular FormulaC19H20N2O7
Molecular Weight388.38 g/mol
Exact Mass388.13
IUPAC Nameethyl 4-carbamoyl-2-methyl-5-[[2-(2-methylbenzoyl)oxyacetyl]amino]furan-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)COC(=O)c2ccccc2C)c1C(N)=O
InChIInChI=1S/C19H20N2O7/c1-4-26-19(25)14-11(3)28-17(15(14)16(20)23)21-13(22)9-27-18(24)12-8-6-5-7-10(12)2/h5-8H,4,9H2,1-3H3,(H2,20,23)(H,21,22)
InChIKeyKRONALXJMCLNQY-UHFFFAOYSA-N
XLogP1.97
TPSA137.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-carbamoyl-5-[[2-(2,5-dimethylbenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate
CID 9229093
[2-[(3-carbamoyl-4-ethoxycarbonyl-5-methylfuran-2-yl)amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 8644159
ethyl 4-carbamoyl-5-[[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate
CID 9203357
ethyl 4-carbamoyl-2-methyl-5-[(2-phenoxyacetyl)amino]furan-3-carboxylate
CID 108733676
ethyl 4-carbamoyl-2-methyl-5-[(5-oxo-5-phenylpentanoyl)amino]furan-3-carboxylate
CID 108733760
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-(4-methoxyphenyl)acetyl]oxyacetyl]amino]-2-methylfuran-3-carboxylate
CID 9201262
ethyl 4-carbamoyl-2-methyl-5-(thiophene-2-carbonylamino)furan-3-carboxylate
CID 108733797
ethyl 4-carbamoyl-5-[[2-[(1S)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-2-methylfuran-3-carboxylate
CID 8566868
ethyl 4-acetyl-5-methyl-2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]furan-3-carboxylate
CID 7601452
diethyl 2-(3,3-diphenylpropanoylamino)-5-methylfuran-3,4-dicarboxylate
CID 108739525
diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate
CID 108739453

Frequently Asked Questions

What is the IUPAC name of ethyl 4-carbamoyl-2-methyl-5-[[2-(2-methylbenzoyl)oxyacetyl]amino]furan-3-carboxylate?
The IUPAC name of ethyl 4-carbamoyl-2-methyl-5-[[2-(2-methylbenzoyl)oxyacetyl]amino]furan-3-carboxylate (CID 9202543) is ethyl 4-carbamoyl-2-methyl-5-[[2-(2-methylbenzoyl)oxyacetyl]amino]furan-3-carboxylate.
What is the SMILES notation for ethyl 4-carbamoyl-2-methyl-5-[[2-(2-methylbenzoyl)oxyacetyl]amino]furan-3-carboxylate?
The canonical SMILES for ethyl 4-carbamoyl-2-methyl-5-[[2-(2-methylbenzoyl)oxyacetyl]amino]furan-3-carboxylate is CCOC(=O)c1c(C)oc(NC(=O)COC(=O)c2ccccc2C)c1C(N)=O.
What is the InChIKey of ethyl 4-carbamoyl-2-methyl-5-[[2-(2-methylbenzoyl)oxyacetyl]amino]furan-3-carboxylate?
The InChIKey is KRONALXJMCLNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O7/c1-4-26-19(25)14-11(3)28-17(15(14)16(20)23)21-13(22)9-27-18(24)12-8-6-5-7-10(12)2/h5-8H,4,9H2,1-3H3,(H2,20,23)(H,21,22).
What are the key properties of ethyl 4-carbamoyl-2-methyl-5-[[2-(2-methylbenzoyl)oxyacetyl]amino]furan-3-carboxylate?
ethyl 4-carbamoyl-2-methyl-5-[[2-(2-methylbenzoyl)oxyacetyl]amino]furan-3-carboxylate has a molecular weight of 388.38 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-carbamoyl-2-methyl-5-[[2-(2-methylbenzoyl)oxyacetyl]amino]furan-3-carboxylate is sourced from PubChem (CID 9202543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).