2-methoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide

C15H16N2O3 — CID 868019

IUPAC2-methoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide
SMILESCOc1ccccc1C(=O)NN=C(C)c1ccc(C)o1
InChIInChI=1S/C15H16N2O3/c1-10-8-9-13(20-10)11(2)16-17-15(18)12-6-4-5-7-14(12)19-3/h4-9H,1-3H3,(H,17,18)
InChIKeyLKWXQLUNBPHANM-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.75
Rot. Bonds4

About 2-methoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide

2-methoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide (PubChem CID 868019) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-methoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide
PubChem CID868019
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-methoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide
SMILESCOc1ccccc1C(=O)NN=C(C)c1ccc(C)o1
InChIInChI=1S/C15H16N2O3/c1-10-8-9-13(20-10)11(2)16-17-15(18)12-6-4-5-7-14(12)19-3/h4-9H,1-3H3,(H,17,18)
InChIKeyLKWXQLUNBPHANM-UHFFFAOYSA-N
XLogP2.75
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.75
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

2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 6152790
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-methoxybenzamide
CID 144899093
3-hydroxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]naphthalene-2-carboxamide
CID 5413691
N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]-1H-indole-3-carboxamide
CID 5411742
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylfuran-2-carboxylate
CID 2635522
4-chloro-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzamide
CID 5401165
4-ethoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide
CID 3656124
2-hydroxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]-2-phenylacetamide
CID 5013172
2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731629
N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-4-carboxamide
CID 7937174
N-[(E)-1-(2-methoxy-4-methylphenyl)ethylideneamino]-2-methylbenzamide
CID 75459911
N-[1-(2-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanimine
CID 118868215

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide?
The IUPAC name of 2-methoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide (CID 868019) is 2-methoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide.
What is the SMILES notation for 2-methoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide?
The canonical SMILES for 2-methoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide is COc1ccccc1C(=O)NN=C(C)c1ccc(C)o1.
What is the InChIKey of 2-methoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide?
The InChIKey is LKWXQLUNBPHANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10-8-9-13(20-10)11(2)16-17-15(18)12-6-4-5-7-14(12)19-3/h4-9H,1-3H3,(H,17,18).
What are the key properties of 2-methoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide?
2-methoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide has a molecular weight of 272.30 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide is sourced from PubChem (CID 868019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).