N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylfuran-3-carboxamide

C17H21N3O2 — CID 5342258

IUPACN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylfuran-3-carboxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccoc2C)cc1
InChIInChI=1S/C17H21N3O2/c1-4-20(5-2)15-8-6-14(7-9-15)12-18-19-17(21)16-10-11-22-13(16)3/h6-12H,4-5H2,1-3H3,(H,19,21)/b18-12+
InChIKeyVIZYZRLCTHYIJW-LDADJPATSA-N
MW299.37 g/mol
LogP3.20
Rot. Bonds6

About N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylfuran-3-carboxamide

N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 5342258) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylfuran-3-carboxamide
PubChem CID5342258
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylfuran-3-carboxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccoc2C)cc1
InChIInChI=1S/C17H21N3O2/c1-4-20(5-2)15-8-6-14(7-9-15)12-18-19-17(21)16-10-11-22-13(16)3/h6-12H,4-5H2,1-3H3,(H,19,21)/b18-12+
InChIKeyVIZYZRLCTHYIJW-LDADJPATSA-N
XLogP3.20
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.20
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)-[4-(diethylamino)phenyl]methylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylfuran-3-carboxamide (CID 5342258) is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylfuran-3-carboxamide is CCN(CC)c1ccc(/C=N/NC(=O)c2ccoc2C)cc1.
What is the InChIKey of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is VIZYZRLCTHYIJW-LDADJPATSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-4-20(5-2)15-8-6-14(7-9-15)12-18-19-17(21)16-10-11-22-13(16)3/h6-12H,4-5H2,1-3H3,(H,19,21)/b18-12+.
What are the key properties of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylfuran-3-carboxamide?
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 5342258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).