N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]furan-2-carboxamide

C16H20N4O2 — CID 111042777

IUPACN-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]furan-2-carboxamide
SMILESCc1cc(C)cc(N/C(N)=N/CCNC(=O)c2ccco2)c1
InChIInChI=1S/C16H20N4O2/c1-11-8-12(2)10-13(9-11)20-16(17)19-6-5-18-15(21)14-4-3-7-22-14/h3-4,7-10H,5-6H2,1-2H3,(H,18,21)(H3,17,19,20)
InChIKeyWTUQRYFDZZQENS-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.05
Rot. Bonds5

About N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]furan-2-carboxamide

N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]furan-2-carboxamide (PubChem CID 111042777) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]furan-2-carboxamide
PubChem CID111042777
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]furan-2-carboxamide
SMILESCc1cc(C)cc(N/C(N)=N/CCNC(=O)c2ccco2)c1
InChIInChI=1S/C16H20N4O2/c1-11-8-12(2)10-13(9-11)20-16(17)19-6-5-18-15(21)14-4-3-7-22-14/h3-4,7-10H,5-6H2,1-2H3,(H,18,21)(H3,17,19,20)
InChIKeyWTUQRYFDZZQENS-UHFFFAOYSA-N
XLogP2.05
TPSA92.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042802
N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042762
N-[2-[[amino-(tert-butylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042782
N-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]furan-2-carboxamide
CID 111042765
N-[3-[[amino-(3,5-dimethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide
CID 111817790
N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111055676
N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111094961
N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111720888
N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
CID 110914716
N-[2-[(N'-octylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042780
N-[3-[[[amino-(4-methylanilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111046763
N-[2-[(3,4-dimethylphenyl)carbamoylamino]ethyl]furan-2-carboxamide
CID 47031833

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]furan-2-carboxamide (CID 111042777) is N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]furan-2-carboxamide is Cc1cc(C)cc(N/C(N)=N/CCNC(=O)c2ccco2)c1.
What is the InChIKey of N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]furan-2-carboxamide?
The InChIKey is WTUQRYFDZZQENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-8-12(2)10-13(9-11)20-16(17)19-6-5-18-15(21)14-4-3-7-22-14/h3-4,7-10H,5-6H2,1-2H3,(H,18,21)(H3,17,19,20).
What are the key properties of N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]furan-2-carboxamide?
N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]furan-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 111042777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).