N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,5-dimethylfuran-3-carboxamide

C18H23N3O2 — CID 5413783

IUPACN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)c2cc(C)oc2C)cc1
InChIInChI=1S/C18H23N3O2/c1-5-21(6-2)16-9-7-15(8-10-16)12-19-20-18(22)17-11-13(3)23-14(17)4/h7-12H,5-6H2,1-4H3,(H,20,22)/b19-12-
InChIKeyFVZATUVZNQDTNQ-UNOMPAQXSA-N
MW313.40 g/mol
LogP3.51
Rot. Bonds6

About N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,5-dimethylfuran-3-carboxamide

N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,5-dimethylfuran-3-carboxamide (PubChem CID 5413783) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
PubChem CID5413783
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)c2cc(C)oc2C)cc1
InChIInChI=1S/C18H23N3O2/c1-5-21(6-2)16-9-7-15(8-10-16)12-19-20-18(22)17-11-13(3)23-14(17)4/h7-12H,5-6H2,1-4H3,(H,20,22)/b19-12-
InChIKeyFVZATUVZNQDTNQ-UNOMPAQXSA-N
XLogP3.51
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.51
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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Related Compounds

2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]furan-3-carboxamide
CID 5223464
N-[(4-ethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 760412
4-[(E)-[(2,5-dimethylfuran-3-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 6893767
methyl 4-[(Z)-[(2,5-dimethylfuran-3-carbonyl)hydrazinylidene]methyl]benzoate
CID 5402097
1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
CID 5335044
2,5-dimethyl-N-[(E)-(3-methylphenyl)methylideneamino]furan-3-carboxamide
CID 6893777
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-3-carboxamide
CID 6110691
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide
CID 6180854
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6892831
4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 164880526
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 5410903
1,3-bis[[4-(diethylamino)phenyl]methylideneamino]thiourea
CID 5125504

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,5-dimethylfuran-3-carboxamide (CID 5413783) is N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,5-dimethylfuran-3-carboxamide is CCN(CC)c1ccc(/C=N\NC(=O)c2cc(C)oc2C)cc1.
What is the InChIKey of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is FVZATUVZNQDTNQ-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-5-21(6-2)16-9-7-15(8-10-16)12-19-20-18(22)17-11-13(3)23-14(17)4/h7-12H,5-6H2,1-4H3,(H,20,22)/b19-12-.
What are the key properties of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,5-dimethylfuran-3-carboxamide?
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 5413783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).