2-(3,4-dimethylanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide

C15H17N3O2 — CID 5426354

IUPAC2-(3,4-dimethylanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
SMILESCc1ccc(NCC(=O)N/N=C\c2ccco2)cc1C
InChIInChI=1S/C15H17N3O2/c1-11-5-6-13(8-12(11)2)16-10-15(19)18-17-9-14-4-3-7-20-14/h3-9,16H,10H2,1-2H3,(H,18,19)/b17-9-
InChIKeyAQLOJVHEIIFUMI-MFOYZWKCSA-N
MW271.32 g/mol
LogP2.46
Rot. Bonds5

About 2-(3,4-dimethylanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide

2-(3,4-dimethylanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide (PubChem CID 5426354) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
PubChem CID5426354
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(3,4-dimethylanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
SMILESCc1ccc(NCC(=O)N/N=C\c2ccco2)cc1C
InChIInChI=1S/C15H17N3O2/c1-11-5-6-13(8-12(11)2)16-10-15(19)18-17-9-14-4-3-7-20-14/h3-9,16H,10H2,1-2H3,(H,18,19)/b17-9-
InChIKeyAQLOJVHEIIFUMI-MFOYZWKCSA-N
XLogP2.46
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
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-(3,5-dibromo-4-methylanilino)-N-[(E)-furan-2-ylmethylideneamino]acetamide
CID 6039229
2-anilino-N-(furan-2-ylmethylideneamino)acetamide
CID 3757182
2-(4-bromoanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5404211
2-(4-fluoroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5404241
N-[[5-(dimethylamino)furan-2-yl]methylideneamino]-2-(3,4-dimethylanilino)acetamide
CID 131854027
2-(3,4-dimethylanilino)-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide
CID 135788625
N-(2,5-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide
CID 3289300
(E)-N-[(E)-furan-2-ylmethylideneamino]-N'-[(Z)-furan-2-ylmethylideneamino]hex-3-enediamide
CID 45050499
N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methylanilino)acetamide
CID 6834782
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719
N'-[(Z)-furan-2-ylmethylideneamino]-N-(4-methylphenyl)butanediamide
CID 6053974
N-(furan-2-ylmethylideneamino)-2-(2,4,6-trimethylphenoxy)acetamide
CID 832440

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(3,4-dimethylanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide (CID 5426354) is 2-(3,4-dimethylanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(3,4-dimethylanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(3,4-dimethylanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide is Cc1ccc(NCC(=O)N/N=C\c2ccco2)cc1C.
What is the InChIKey of 2-(3,4-dimethylanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide?
The InChIKey is AQLOJVHEIIFUMI-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-5-6-13(8-12(11)2)16-10-15(19)18-17-9-14-4-3-7-20-14/h3-9,16H,10H2,1-2H3,(H,18,19)/b17-9-.
What are the key properties of 2-(3,4-dimethylanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide?
2-(3,4-dimethylanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide has a molecular weight of 271.32 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 5426354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).