N-[[5-(dimethylamino)furan-2-yl]methylideneamino]-2-(3,4-dimethylanilino)acetamide

C17H22N4O2 — CID 131854027

IUPACN-[[5-(dimethylamino)furan-2-yl]methylideneamino]-2-(3,4-dimethylanilino)acetamide
SMILESCc1ccc(NCC(=O)NN=Cc2ccc(N(C)C)o2)cc1C
InChIInChI=1S/C17H22N4O2/c1-12-5-6-14(9-13(12)2)18-11-16(22)20-19-10-15-7-8-17(23-15)21(3)4/h5-10,18H,11H2,1-4H3,(H,20,22)
InChIKeyWVUZDCVYCXWNTK-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.52
Rot. Bonds6

About N-[[5-(dimethylamino)furan-2-yl]methylideneamino]-2-(3,4-dimethylanilino)acetamide

N-[[5-(dimethylamino)furan-2-yl]methylideneamino]-2-(3,4-dimethylanilino)acetamide (PubChem CID 131854027) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[[5-(dimethylamino)furan-2-yl]methylideneamino]-2-(3,4-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-[[5-(dimethylamino)furan-2-yl]methylideneamino]-2-(3,4-dimethylanilino)acetamide
PubChem CID131854027
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[[5-(dimethylamino)furan-2-yl]methylideneamino]-2-(3,4-dimethylanilino)acetamide
SMILESCc1ccc(NCC(=O)NN=Cc2ccc(N(C)C)o2)cc1C
InChIInChI=1S/C17H22N4O2/c1-12-5-6-14(9-13(12)2)18-11-16(22)20-19-10-15-7-8-17(23-15)21(3)4/h5-10,18H,11H2,1-4H3,(H,20,22)
InChIKeyWVUZDCVYCXWNTK-UHFFFAOYSA-N
XLogP2.52
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_A(15)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[5-(dimethylamino)furan-2-yl]methylideneamino]-2-(3,4-dimethylanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethylanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5426354
2-(3,4-dimethylanilino)-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide
CID 135788625
2-(4-chlorophenyl)-N-[[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide
CID 91991158
2-(3,4-dichlorophenyl)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide
CID 6069375
N-[(5-bromofuran-2-yl)methylideneamino]-2-(4-methylanilino)acetamide
CID 758692
2-(1,3-benzodioxol-5-ylamino)-N-[(Z)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]acetamide
CID 126088791
2-(4-bromophenoxy)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide
CID 126008441
2-(4-bromoanilino)-N-[(Z)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]acetamide
CID 126351374
2-(3,4-dimethylanilino)-N-methylacetamide
CID 28580460
3-acetamido-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]benzamide
CID 5427617
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)acetamide;hydrochloride
CID 163329045
N-[[5-(dimethylamino)furan-2-yl]methylideneamino]-4-iodo-3-methoxybenzamide
CID 91991416

Frequently Asked Questions

What is the IUPAC name of N-[[5-(dimethylamino)furan-2-yl]methylideneamino]-2-(3,4-dimethylanilino)acetamide?
The IUPAC name of N-[[5-(dimethylamino)furan-2-yl]methylideneamino]-2-(3,4-dimethylanilino)acetamide (CID 131854027) is N-[[5-(dimethylamino)furan-2-yl]methylideneamino]-2-(3,4-dimethylanilino)acetamide.
What is the SMILES notation for N-[[5-(dimethylamino)furan-2-yl]methylideneamino]-2-(3,4-dimethylanilino)acetamide?
The canonical SMILES for N-[[5-(dimethylamino)furan-2-yl]methylideneamino]-2-(3,4-dimethylanilino)acetamide is Cc1ccc(NCC(=O)NN=Cc2ccc(N(C)C)o2)cc1C.
What is the InChIKey of N-[[5-(dimethylamino)furan-2-yl]methylideneamino]-2-(3,4-dimethylanilino)acetamide?
The InChIKey is WVUZDCVYCXWNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-5-6-14(9-13(12)2)18-11-16(22)20-19-10-15-7-8-17(23-15)21(3)4/h5-10,18H,11H2,1-4H3,(H,20,22).
What are the key properties of N-[[5-(dimethylamino)furan-2-yl]methylideneamino]-2-(3,4-dimethylanilino)acetamide?
N-[[5-(dimethylamino)furan-2-yl]methylideneamino]-2-(3,4-dimethylanilino)acetamide has a molecular weight of 314.39 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(dimethylamino)furan-2-yl]methylideneamino]-2-(3,4-dimethylanilino)acetamide is sourced from PubChem (CID 131854027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).