N-[(E)-[(Z)-3-(2-methoxyphenyl)prop-2-enylidene]amino]furan-2-carboxamide

C15H14N2O3 — CID 6878929

IUPACN-[(E)-[(Z)-3-(2-methoxyphenyl)prop-2-enylidene]amino]furan-2-carboxamide
SMILESCOc1ccccc1/C=C\C=N\NC(=O)c1ccco1
InChIInChI=1S/C15H14N2O3/c1-19-13-8-3-2-6-12(13)7-4-10-16-17-15(18)14-9-5-11-20-14/h2-11H,1H3,(H,17,18)/b7-4-,16-10+
InChIKeyXGWZJYHANXKEAW-VKZSLHGGSA-N
MW270.29 g/mol
LogP2.72
Rot. Bonds5

About N-[(E)-[(Z)-3-(2-methoxyphenyl)prop-2-enylidene]amino]furan-2-carboxamide

N-[(E)-[(Z)-3-(2-methoxyphenyl)prop-2-enylidene]amino]furan-2-carboxamide (PubChem CID 6878929) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[(E)-[(Z)-3-(2-methoxyphenyl)prop-2-enylidene]amino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(Z)-3-(2-methoxyphenyl)prop-2-enylidene]amino]furan-2-carboxamide
PubChem CID6878929
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-[(E)-[(Z)-3-(2-methoxyphenyl)prop-2-enylidene]amino]furan-2-carboxamide
SMILESCOc1ccccc1/C=C\C=N\NC(=O)c1ccco1
InChIInChI=1S/C15H14N2O3/c1-19-13-8-3-2-6-12(13)7-4-10-16-17-15(18)14-9-5-11-20-14/h2-11H,1H3,(H,17,18)/b7-4-,16-10+
InChIKeyXGWZJYHANXKEAW-VKZSLHGGSA-N
XLogP2.72
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.72
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(Z)-3-(2-methoxyphenyl)prop-2-enylidene]amino]furan-2-carboxamide?
The IUPAC name of N-[(E)-[(Z)-3-(2-methoxyphenyl)prop-2-enylidene]amino]furan-2-carboxamide (CID 6878929) is N-[(E)-[(Z)-3-(2-methoxyphenyl)prop-2-enylidene]amino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-[(Z)-3-(2-methoxyphenyl)prop-2-enylidene]amino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-[(Z)-3-(2-methoxyphenyl)prop-2-enylidene]amino]furan-2-carboxamide is COc1ccccc1/C=C\C=N\NC(=O)c1ccco1.
What is the InChIKey of N-[(E)-[(Z)-3-(2-methoxyphenyl)prop-2-enylidene]amino]furan-2-carboxamide?
The InChIKey is XGWZJYHANXKEAW-VKZSLHGGSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-19-13-8-3-2-6-12(13)7-4-10-16-17-15(18)14-9-5-11-20-14/h2-11H,1H3,(H,17,18)/b7-4-,16-10+.
What are the key properties of N-[(E)-[(Z)-3-(2-methoxyphenyl)prop-2-enylidene]amino]furan-2-carboxamide?
N-[(E)-[(Z)-3-(2-methoxyphenyl)prop-2-enylidene]amino]furan-2-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(Z)-3-(2-methoxyphenyl)prop-2-enylidene]amino]furan-2-carboxamide is sourced from PubChem (CID 6878929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).