ethyl 4-carbamoyl-5-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate

C17H21N3O6 — CID 8621081

IUPACethyl 4-carbamoyl-5-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)CN(C)Cc2ccco2)c1C(N)=O
InChIInChI=1S/C17H21N3O6/c1-4-24-17(23)13-10(2)26-16(14(13)15(18)22)19-12(21)9-20(3)8-11-6-5-7-25-11/h5-7H,4,8-9H2,1-3H3,(H2,18,22)(H,19,21)
InChIKeyYKZQYSBPWHBFSN-UHFFFAOYSA-N
MW363.37 g/mol
LogP1.53
Rot. Bonds8

About ethyl 4-carbamoyl-5-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate

ethyl 4-carbamoyl-5-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate (PubChem CID 8621081) has the molecular formula C17H21N3O6 and a molecular weight of 363.37 g/mol. Its IUPAC name is ethyl 4-carbamoyl-5-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-carbamoyl-5-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate
PubChem CID8621081
Molecular FormulaC17H21N3O6
Molecular Weight363.37 g/mol
Exact Mass363.14
IUPAC Nameethyl 4-carbamoyl-5-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)CN(C)Cc2ccco2)c1C(N)=O
InChIInChI=1S/C17H21N3O6/c1-4-24-17(23)13-10(2)26-16(14(13)15(18)22)19-12(21)9-20(3)8-11-6-5-7-25-11/h5-7H,4,8-9H2,1-3H3,(H2,18,22)(H,19,21)
InChIKeyYKZQYSBPWHBFSN-UHFFFAOYSA-N
XLogP1.53
TPSA128.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-carbamoyl-5-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-2-methylfuran-3-carboxylate
CID 8787278
ethyl 4-carbamoyl-2-methyl-5-[(2-phenoxyacetyl)amino]furan-3-carboxylate
CID 108733676
ethyl 4-carbamoyl-5-[[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate
CID 9203357
ethyl 2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 9331952
ethyl 4-carbamoyl-2-methyl-5-[[2-(2-methylbenzoyl)oxyacetyl]amino]furan-3-carboxylate
CID 9202543
diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate
CID 108739453
N-(5-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 43526619
ethyl 4-carbamoyl-2-methyl-5-(thiophene-2-carbonylamino)furan-3-carboxylate
CID 108733797
ethyl 4-carbamoyl-5-[[2-(2,5-dimethylbenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate
CID 9229093
N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 31379581
2-[furan-2-ylmethyl(methyl)amino]-N-(2-iodophenyl)acetamide
CID 9334115
[2-[(3-carbamoyl-4-ethoxycarbonyl-5-methylfuran-2-yl)amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 8644159

Frequently Asked Questions

What is the IUPAC name of ethyl 4-carbamoyl-5-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate?
The IUPAC name of ethyl 4-carbamoyl-5-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate (CID 8621081) is ethyl 4-carbamoyl-5-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate.
What is the SMILES notation for ethyl 4-carbamoyl-5-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate?
The canonical SMILES for ethyl 4-carbamoyl-5-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate is CCOC(=O)c1c(C)oc(NC(=O)CN(C)Cc2ccco2)c1C(N)=O.
What is the InChIKey of ethyl 4-carbamoyl-5-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate?
The InChIKey is YKZQYSBPWHBFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O6/c1-4-24-17(23)13-10(2)26-16(14(13)15(18)22)19-12(21)9-20(3)8-11-6-5-7-25-11/h5-7H,4,8-9H2,1-3H3,(H2,18,22)(H,19,21).
What are the key properties of ethyl 4-carbamoyl-5-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate?
ethyl 4-carbamoyl-5-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate has a molecular weight of 363.37 g/mol, XLogP of 1.53, 8 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-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 8621081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).