N-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]furan-2-carboxamide

C18H24N4O2 — CID 111042765

IUPACN-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]furan-2-carboxamide
SMILESCCC(C)c1ccc(N/C(N)=N/CCNC(=O)c2ccco2)cc1
InChIInChI=1S/C18H24N4O2/c1-3-13(2)14-6-8-15(9-7-14)22-18(19)21-11-10-20-17(23)16-5-4-12-24-16/h4-9,12-13H,3,10-11H2,1-2H3,(H,20,23)(H3,19,21,22)
InChIKeyXWZMNXAJLOGANY-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.95
Rot. Bonds7

About N-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]furan-2-carboxamide

N-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]furan-2-carboxamide (PubChem CID 111042765) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]furan-2-carboxamide
PubChem CID111042765
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]furan-2-carboxamide
SMILESCCC(C)c1ccc(N/C(N)=N/CCNC(=O)c2ccco2)cc1
InChIInChI=1S/C18H24N4O2/c1-3-13(2)14-6-8-15(9-7-14)22-18(19)21-11-10-20-17(23)16-5-4-12-24-16/h4-9,12-13H,3,10-11H2,1-2H3,(H,20,23)(H3,19,21,22)
InChIKeyXWZMNXAJLOGANY-UHFFFAOYSA-N
XLogP2.95
TPSA92.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.95
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-(3,5-dimethylanilino)methylidene]amino]ethyl]furan-2-carboxamide
CID 111042777
N-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111094948
N-[2-[[amino-(tert-butylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042782
1-(4-butan-2-ylphenyl)-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
CID 111058194
N-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]-3-methoxybenzamide;hydroiodide
CID 111043011
1-(4-butan-2-ylphenyl)-2-(2-hydroxyethyl)guanidine;hydroiodide
CID 111023000
1-(4-butan-2-ylphenyl)-2-ethylguanidine
CID 111023947
tert-butyl N-[4-[[amino-(4-butan-2-ylanilino)methylidene]amino]butyl]carbamate;hydroiodide
CID 110026934
N-[2-[(N'-octylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042780
1-(4-butan-2-ylphenyl)-2-(5-methoxypentyl)guanidine;hydroiodide
CID 111087548

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]furan-2-carboxamide (CID 111042765) is N-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]furan-2-carboxamide is CCC(C)c1ccc(N/C(N)=N/CCNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]furan-2-carboxamide?
The InChIKey is XWZMNXAJLOGANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-13(2)14-6-8-15(9-7-14)22-18(19)21-11-10-20-17(23)16-5-4-12-24-16/h4-9,12-13H,3,10-11H2,1-2H3,(H,20,23)(H3,19,21,22).
What are the key properties of N-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]furan-2-carboxamide?
N-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]furan-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.95, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 111042765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).