ethyl N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]carbamate

C15H18N2O3 — CID 9075990

IUPACethyl N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]carbamate
SMILESCCOC(=O)N/N=C(/C)c1oc2ccccc2c1CC
InChIInChI=1S/C15H18N2O3/c1-4-11-12-8-6-7-9-13(12)20-14(11)10(3)16-17-15(18)19-5-2/h6-9H,4-5H2,1-3H3,(H,17,18)/b16-10-
InChIKeyXZXMYMYQZITFAA-YBEGLDIGSA-N
MW274.32 g/mol
LogP3.47
Rot. Bonds4

About ethyl N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]carbamate

ethyl N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]carbamate (PubChem CID 9075990) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]carbamate
PubChem CID9075990
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Nameethyl N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]carbamate
SMILESCCOC(=O)N/N=C(/C)c1oc2ccccc2c1CC
InChIInChI=1S/C15H18N2O3/c1-4-11-12-8-6-7-9-13(12)20-14(11)10(3)16-17-15(18)19-5-2/h6-9H,4-5H2,1-3H3,(H,17,18)/b16-10-
InChIKeyXZXMYMYQZITFAA-YBEGLDIGSA-N
XLogP3.47
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]urea
CID 73010672
N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]pyridine-4-carboxamide
CID 9015206
ethyl N-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]carbamate
CID 8972749
3-[(2Z)-2-[1-(3-ethyl-1-benzofuran-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135784900
ethyl 3-ethyl-4-oxochromene-2-carboxylate
CID 142682858
ethyl N-[1-(5-ethylthiophen-2-yl)ethylideneamino]carbamate
CID 3848888
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7551159
1-(3-ethyl-1-benzofuran-2-yl)-3,3-dimethoxypropan-1-one
CID 115480642
(3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone
CID 12573980
ethyl 2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]propanoate
CID 61498346
ethyl N-[(1-oxo-1-phenylpropan-2-ylidene)amino]carbamate
CID 5085967
ethyl 3-methoxy-1-benzofuran-2-carboxylate
CID 10922024

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]carbamate?
The IUPAC name of ethyl N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]carbamate (CID 9075990) is ethyl N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]carbamate?
The canonical SMILES for ethyl N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]carbamate is CCOC(=O)N/N=C(/C)c1oc2ccccc2c1CC.
What is the InChIKey of ethyl N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]carbamate?
The InChIKey is XZXMYMYQZITFAA-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-11-12-8-6-7-9-13(12)20-14(11)10(3)16-17-15(18)19-5-2/h6-9H,4-5H2,1-3H3,(H,17,18)/b16-10-.
What are the key properties of ethyl N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]carbamate?
ethyl N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]carbamate has a molecular weight of 274.32 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]carbamate is sourced from PubChem (CID 9075990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).