2,5-dimethyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]furan-3-carboxamide

C17H18N2O2 — CID 5395179

IUPAC2,5-dimethyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]furan-3-carboxamide
SMILESCC(=C/c1ccccc1)/C=N/NC(=O)c1cc(C)oc1C
InChIInChI=1S/C17H18N2O2/c1-12(9-15-7-5-4-6-8-15)11-18-19-17(20)16-10-13(2)21-14(16)3/h4-11H,1-3H3,(H,19,20)/b12-9-,18-11+
InChIKeyPLRWPXYXIJQSFV-QBQLSDBTSA-N
MW282.34 g/mol
LogP3.72
Rot. Bonds4

About 2,5-dimethyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]furan-3-carboxamide

2,5-dimethyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]furan-3-carboxamide (PubChem CID 5395179) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]furan-3-carboxamide
PubChem CID5395179
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2,5-dimethyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]furan-3-carboxamide
SMILESCC(=C/c1ccccc1)/C=N/NC(=O)c1cc(C)oc1C
InChIInChI=1S/C17H18N2O2/c1-12(9-15-7-5-4-6-8-15)11-18-19-17(20)16-10-13(2)21-14(16)3/h4-11H,1-3H3,(H,19,20)/b12-9-,18-11+
InChIKeyPLRWPXYXIJQSFV-QBQLSDBTSA-N
XLogP3.72
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,5-dimethyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]furan-3-carboxamide (CID 5395179) is 2,5-dimethyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]furan-3-carboxamide is CC(=C/c1ccccc1)/C=N/NC(=O)c1cc(C)oc1C.
What is the InChIKey of 2,5-dimethyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]furan-3-carboxamide?
The InChIKey is PLRWPXYXIJQSFV-QBQLSDBTSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12(9-15-7-5-4-6-8-15)11-18-19-17(20)16-10-13(2)21-14(16)3/h4-11H,1-3H3,(H,19,20)/b12-9-,18-11+.
What are the key properties of 2,5-dimethyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]furan-3-carboxamide?
2,5-dimethyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]furan-3-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]furan-3-carboxamide is sourced from PubChem (CID 5395179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).