N-[3-[[amino-(3,5-dimethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide

C18H24N4O2 — CID 111817790

IUPACN-[3-[[amino-(3,5-dimethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide
SMILESCc1cc(C)cc(N/C(N)=N/CCCNC(=O)c2occc2C)c1
InChIInChI=1S/C18H24N4O2/c1-12-9-13(2)11-15(10-12)22-18(19)21-7-4-6-20-17(23)16-14(3)5-8-24-16/h5,8-11H,4,6-7H2,1-3H3,(H,20,23)(H3,19,21,22)
InChIKeyFCHHEVGUYAFATE-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.75
Rot. Bonds6

About N-[3-[[amino-(3,5-dimethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide

N-[3-[[amino-(3,5-dimethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide (PubChem CID 111817790) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[3-[[amino-(3,5-dimethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[amino-(3,5-dimethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide
PubChem CID111817790
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[3-[[amino-(3,5-dimethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide
SMILESCc1cc(C)cc(N/C(N)=N/CCCNC(=O)c2occc2C)c1
InChIInChI=1S/C18H24N4O2/c1-12-9-13(2)11-15(10-12)22-18(19)21-7-4-6-20-17(23)16-14(3)5-8-24-16/h5,8-11H,4,6-7H2,1-3H3,(H,20,23)(H3,19,21,22)
InChIKeyFCHHEVGUYAFATE-UHFFFAOYSA-N
XLogP2.75
TPSA92.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.75
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-[3-[[amino-(3-ethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide
CID 111817723
N-[3-[[amino-(octylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide
CID 111817772
N-[3-[[amino-(2,5-diethoxyanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide
CID 111817816
N-[3-[[amino-(cyclohexylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide
CID 111817799
N-[3-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]propyl]-3-methylfuran-2-carboxamide
CID 111817744
N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]furan-2-carboxamide
CID 111042777
3-methyl-N-[3-[(N'-methylcarbamimidoyl)amino]propyl]furan-2-carboxamide;hydroiodide
CID 111439289
N-(4-bromobutyl)-3-methylfuran-2-carboxamide
CID 106845761
N-(4-aminobutyl)-3-methylfuran-2-carboxamide
CID 60895762
N-[3-[[amino-(3-methylanilino)methylidene]amino]propyl]benzamide;hydroiodide
CID 111094048
N-[3-[[ethylamino-(3-methoxypropylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide
CID 111770954
1-(3,5-dimethylphenyl)-2-[3-(ethylsulfonylamino)propyl]guanidine
CID 111093467

Frequently Asked Questions

What is the IUPAC name of N-[3-[[amino-(3,5-dimethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[3-[[amino-(3,5-dimethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide (CID 111817790) is N-[3-[[amino-(3,5-dimethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[3-[[amino-(3,5-dimethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[3-[[amino-(3,5-dimethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide is Cc1cc(C)cc(N/C(N)=N/CCCNC(=O)c2occc2C)c1.
What is the InChIKey of N-[3-[[amino-(3,5-dimethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide?
The InChIKey is FCHHEVGUYAFATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-9-13(2)11-15(10-12)22-18(19)21-7-4-6-20-17(23)16-14(3)5-8-24-16/h5,8-11H,4,6-7H2,1-3H3,(H,20,23)(H3,19,21,22).
What are the key properties of N-[3-[[amino-(3,5-dimethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide?
N-[3-[[amino-(3,5-dimethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[amino-(3,5-dimethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 111817790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).