N-[1-(furan-2-yl)ethylideneamino]-2-prop-2-enoxybenzamide

C16H16N2O3 — CID 4928992

IUPACN-[1-(furan-2-yl)ethylideneamino]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NN=C(C)c1ccco1
InChIInChI=1S/C16H16N2O3/c1-3-10-20-15-8-5-4-7-13(15)16(19)18-17-12(2)14-9-6-11-21-14/h3-9,11H,1,10H2,2H3,(H,18,19)
InChIKeyHVYUTOFSCJRDKZ-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.00
Rot. Bonds6

About N-[1-(furan-2-yl)ethylideneamino]-2-prop-2-enoxybenzamide

N-[1-(furan-2-yl)ethylideneamino]-2-prop-2-enoxybenzamide (PubChem CID 4928992) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethylideneamino]-2-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethylideneamino]-2-prop-2-enoxybenzamide
PubChem CID4928992
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN-[1-(furan-2-yl)ethylideneamino]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NN=C(C)c1ccco1
InChIInChI=1S/C16H16N2O3/c1-3-10-20-15-8-5-4-7-13(15)16(19)18-17-12(2)14-9-6-11-21-14/h3-9,11H,1,10H2,2H3,(H,18,19)
InChIKeyHVYUTOFSCJRDKZ-UHFFFAOYSA-N
XLogP3.00
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-hydroxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide
CID 4928960
N-(1-naphthalen-2-ylethylideneamino)-2-prop-2-enoxybenzamide
CID 4928953
N-[(E)-pentan-2-ylideneamino]-2-prop-2-enoxybenzamide
CID 54785708
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide
CID 4928995
N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5396908
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
N-[1-(4-hydroxyphenyl)propylideneamino]-2-prop-2-enoxybenzamide
CID 4928957
N-[1-(furan-2-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 922218
2-phenylmethoxy-N-(propan-2-ylideneamino)benzamide
CID 5200532
N-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide
CID 4937869
N-[1-(furan-2-yl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 3309207
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-phenylacetamide
CID 5335640

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethylideneamino]-2-prop-2-enoxybenzamide?
The IUPAC name of N-[1-(furan-2-yl)ethylideneamino]-2-prop-2-enoxybenzamide (CID 4928992) is N-[1-(furan-2-yl)ethylideneamino]-2-prop-2-enoxybenzamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethylideneamino]-2-prop-2-enoxybenzamide?
The canonical SMILES for N-[1-(furan-2-yl)ethylideneamino]-2-prop-2-enoxybenzamide is C=CCOc1ccccc1C(=O)NN=C(C)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethylideneamino]-2-prop-2-enoxybenzamide?
The InChIKey is HVYUTOFSCJRDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-3-10-20-15-8-5-4-7-13(15)16(19)18-17-12(2)14-9-6-11-21-14/h3-9,11H,1,10H2,2H3,(H,18,19).
What are the key properties of N-[1-(furan-2-yl)ethylideneamino]-2-prop-2-enoxybenzamide?
N-[1-(furan-2-yl)ethylideneamino]-2-prop-2-enoxybenzamide has a molecular weight of 284.31 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethylideneamino]-2-prop-2-enoxybenzamide is sourced from PubChem (CID 4928992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).