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

C15H17N3O2 — CID 6868898

IUPACN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N/N=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C15H17N3O2/c1-11-14(8-9-20-11)15(19)17-16-10-12-4-6-13(7-5-12)18(2)3/h4-10H,1-3H3,(H,17,19)/b16-10+
InChIKeyLIUDZNAFBRMBNI-MHWRWJLKSA-N
MW271.32 g/mol
LogP2.42
Rot. Bonds4

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

N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 6868898) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylfuran-3-carboxamide
PubChem CID6868898
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N/N=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C15H17N3O2/c1-11-14(8-9-20-11)15(19)17-16-10-12-4-6-13(7-5-12)18(2)3/h4-10H,1-3H3,(H,17,19)/b16-10+
InChIKeyLIUDZNAFBRMBNI-MHWRWJLKSA-N
XLogP2.42
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.42
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-(dimethylamino)phenyl]methylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylfuran-3-carboxamide (CID 6868898) is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)N/N=C/c1ccc(N(C)C)cc1.
What is the InChIKey of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is LIUDZNAFBRMBNI-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-14(8-9-20-11)15(19)17-16-10-12-4-6-13(7-5-12)18(2)3/h4-10H,1-3H3,(H,17,19)/b16-10+.
What are the key properties of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylfuran-3-carboxamide?
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 6868898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).