4-ethoxy-3-methoxy-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide

C18H20N2O5 — CID 51162629

IUPAC4-ethoxy-3-methoxy-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)/C=C/c2ccc(C)o2)cc1OC
InChIInChI=1S/C18H20N2O5/c1-4-24-15-9-6-13(11-16(15)23-3)18(22)20-19-17(21)10-8-14-7-5-12(2)25-14/h5-11H,4H2,1-3H3,(H,19,21)(H,20,22)/b10-8+
InChIKeyYTLGPDIGEYRXRV-CSKARUKUSA-N
MW344.37 g/mol
LogP2.47
Rot. Bonds6

About 4-ethoxy-3-methoxy-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide

4-ethoxy-3-methoxy-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide (PubChem CID 51162629) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
PubChem CID51162629
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name4-ethoxy-3-methoxy-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)/C=C/c2ccc(C)o2)cc1OC
InChIInChI=1S/C18H20N2O5/c1-4-24-15-9-6-13(11-16(15)23-3)18(22)20-19-17(21)10-8-14-7-5-12(2)25-14/h5-11H,4H2,1-3H3,(H,19,21)(H,20,22)/b10-8+
InChIKeyYTLGPDIGEYRXRV-CSKARUKUSA-N
XLogP2.47
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-ethoxy-3-methoxybenzoyl)-5-methylfuran-2-carbohydrazide
CID 25440674
4-ethoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 9439958
N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide
CID 24609581
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide
CID 9475903
(E)-N'-[2-(4-methoxyphenoxy)acetyl]-3-(5-methylfuran-2-yl)prop-2-enehydrazide
CID 6146665
N-(4,5-dimethoxy-2-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75618524
4-butoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 9440087
(E)-N-(3,4-dimethoxyphenyl)sulfonyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75401971
1-(2-ethoxy-6-hydroxy-4-methoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
CID 54123421
N'-(4-ethoxy-3-methoxybenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 25469436
4-butoxy-N'-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-3-methoxybenzohydrazide
CID 9440084

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide?
The IUPAC name of 4-ethoxy-3-methoxy-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide (CID 51162629) is 4-ethoxy-3-methoxy-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for 4-ethoxy-3-methoxy-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for 4-ethoxy-3-methoxy-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide is CCOc1ccc(C(=O)NNC(=O)/C=C/c2ccc(C)o2)cc1OC.
What is the InChIKey of 4-ethoxy-3-methoxy-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide?
The InChIKey is YTLGPDIGEYRXRV-CSKARUKUSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-4-24-15-9-6-13(11-16(15)23-3)18(22)20-19-17(21)10-8-14-7-5-12(2)25-14/h5-11H,4H2,1-3H3,(H,19,21)(H,20,22)/b10-8+.
What are the key properties of 4-ethoxy-3-methoxy-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide?
4-ethoxy-3-methoxy-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide has a molecular weight of 344.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 51162629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).