[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate

C18H22N2O6 — CID 4655824

IUPAC[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)c1oc2ccc(OCC)cc2c1C
InChIInChI=1S/C18H22N2O6/c1-5-19-18(23)20-16(21)11(4)25-17(22)15-10(3)13-9-12(24-6-2)7-8-14(13)26-15/h7-9,11H,5-6H2,1-4H3,(H2,19,20,21,23)
InChIKeyLAVBCQVKYWBNCO-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.53
Rot. Bonds6

About [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate

[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 4655824) has the molecular formula C18H22N2O6 and a molecular weight of 362.38 g/mol. Its IUPAC name is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
PubChem CID4655824
Molecular FormulaC18H22N2O6
Molecular Weight362.38 g/mol
Exact Mass362.15
IUPAC Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)c1oc2ccc(OCC)cc2c1C
InChIInChI=1S/C18H22N2O6/c1-5-19-18(23)20-16(21)11(4)25-17(22)15-10(3)13-9-12(24-6-2)7-8-14(13)26-15/h7-9,11H,5-6H2,1-4H3,(H2,19,20,21,23)
InChIKeyLAVBCQVKYWBNCO-UHFFFAOYSA-N
XLogP2.53
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 7661711
N-(methylcarbamoyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 9114447
5-ethoxy-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 18160210
[2-(Methylcarbamoylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
CID 2553941
[2-[4-Amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 2310081
[2-(Tert-butylcarbamoylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 2422081
[2-[(3,4-Dimethoxyphenyl)methylamino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 2456625
2-dibenzofuran-2-yloxy-N-(propylcarbamoyl)acetamide
CID 2465217
[2-Oxo-2-(propylcarbamoylamino)ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
CID 2555902
[2-(Cyclopentylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
CID 2563328
Ethyl 1-[2-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 4019132
[1-(Ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate
CID 4590028

Frequently Asked Questions

What is the IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate (CID 4655824) is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate is CCNC(=O)NC(=O)C(C)OC(=O)c1oc2ccc(OCC)cc2c1C.
What is the InChIKey of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is LAVBCQVKYWBNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6/c1-5-19-18(23)20-16(21)11(4)25-17(22)15-10(3)13-9-12(24-6-2)7-8-14(13)26-15/h7-9,11H,5-6H2,1-4H3,(H2,19,20,21,23).
What are the key properties of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate?
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 362.38 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 4655824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).