N-[3-[[amino-(octylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide

C18H32N4O2 — CID 111817772

IUPACN-[3-[[amino-(octylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide
SMILESCCCCCCCCN/C(N)=N/CCCNC(=O)c1occc1C
InChIInChI=1S/C18H32N4O2/c1-3-4-5-6-7-8-11-21-18(19)22-13-9-12-20-17(23)16-15(2)10-14-24-16/h10,14H,3-9,11-13H2,1-2H3,(H,20,23)(H3,19,21,22)
InChIKeyLFMSXSKPEIBZMJ-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.97
Rot. Bonds12

About N-[3-[[amino-(octylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide

N-[3-[[amino-(octylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide (PubChem CID 111817772) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[3-[[amino-(octylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[amino-(octylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide
PubChem CID111817772
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC NameN-[3-[[amino-(octylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide
SMILESCCCCCCCCN/C(N)=N/CCCNC(=O)c1occc1C
InChIInChI=1S/C18H32N4O2/c1-3-4-5-6-7-8-11-21-18(19)22-13-9-12-20-17(23)16-15(2)10-14-24-16/h10,14H,3-9,11-13H2,1-2H3,(H,20,23)(H3,19,21,22)
InChIKeyLFMSXSKPEIBZMJ-UHFFFAOYSA-N
XLogP2.97
TPSA92.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.97
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'}

Analyze N-[3-[[amino-(octylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide 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

N-[3-[[amino-(3,5-dimethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide
CID 111817790
N-[3-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]propyl]-3-methylfuran-2-carboxamide
CID 111817744
3-methyl-N-[3-[(N'-methylcarbamimidoyl)amino]propyl]furan-2-carboxamide;hydroiodide
CID 111439289
N-[3-[[amino-(cyclohexylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide
CID 111817799
N-[3-[[amino-(3-ethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide
CID 111817723
N-[3-[[amino-(octylamino)methylidene]amino]propyl]benzamide
CID 111094065
N-(4-aminobutyl)-3-methylfuran-2-carboxamide
CID 60895762
N-[3-[[amino-(2,5-diethoxyanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide
CID 111817816
N-[2-[(N'-octylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042780
N-(4-bromobutyl)-3-methylfuran-2-carboxamide
CID 106845761
N-[3-[[ethylamino-(3-methoxypropylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide
CID 111770954
N-[3-[[ethylamino-(3-methylbutylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide
CID 111771003

Frequently Asked Questions

What is the IUPAC name of N-[3-[[amino-(octylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[3-[[amino-(octylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide (CID 111817772) is N-[3-[[amino-(octylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[3-[[amino-(octylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[3-[[amino-(octylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide is CCCCCCCCN/C(N)=N/CCCNC(=O)c1occc1C.
What is the InChIKey of N-[3-[[amino-(octylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide?
The InChIKey is LFMSXSKPEIBZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-3-4-5-6-7-8-11-21-18(19)22-13-9-12-20-17(23)16-15(2)10-14-24-16/h10,14H,3-9,11-13H2,1-2H3,(H,20,23)(H3,19,21,22).
What are the key properties of N-[3-[[amino-(octylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide?
N-[3-[[amino-(octylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 2.97, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[amino-(octylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 111817772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).