2-imino-N-[6-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]hexyl]-4,5,5-trimethylfuran-3-carboxamide

C22H34N4O4 — CID 71584517

IUPAC2-imino-N-[6-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]hexyl]-4,5,5-trimethylfuran-3-carboxamide
SMILES[H]/N=C1\OC(C)(C)C(C)=C1C(=O)NCCCCCCNC(=O)C1=C(C)C(C)(C)O/C1=N\[H]
InChIInChI=1S/C22H34N4O4/c1-13-15(17(23)29-21(13,3)4)19(27)25-11-9-7-8-10-12-26-20(28)16-14(2)22(5,6)30-18(16)24/h23-24H,7-12H2,1-6H3,(H,25,27)(H,26,28)/b23-17-,24-18-
InChIKeyXUTRGPZQDJJGPD-BOYKQRMESA-N
MW418.54 g/mol
LogP2.98
Rot. Bonds9

About 2-imino-N-[6-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]hexyl]-4,5,5-trimethylfuran-3-carboxamide

2-imino-N-[6-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]hexyl]-4,5,5-trimethylfuran-3-carboxamide (PubChem CID 71584517) has the molecular formula C22H34N4O4 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-imino-N-[6-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]hexyl]-4,5,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound Name2-imino-N-[6-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]hexyl]-4,5,5-trimethylfuran-3-carboxamide
PubChem CID71584517
Molecular FormulaC22H34N4O4
Molecular Weight418.54 g/mol
Exact Mass418.26
IUPAC Name2-imino-N-[6-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]hexyl]-4,5,5-trimethylfuran-3-carboxamide
SMILES[H]/N=C1\OC(C)(C)C(C)=C1C(=O)NCCCCCCNC(=O)C1=C(C)C(C)(C)O/C1=N\[H]
InChIInChI=1S/C22H34N4O4/c1-13-15(17(23)29-21(13,3)4)19(27)25-11-9-7-8-10-12-26-20(28)16-14(2)22(5,6)30-18(16)24/h23-24H,7-12H2,1-6H3,(H,25,27)(H,26,28)/b23-17-,24-18-
InChIKeyXUTRGPZQDJJGPD-BOYKQRMESA-N
XLogP2.98
TPSA124.36 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 52.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-imino-N-[6-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]hexyl]-4,5,5-trimethylfuran-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-imino-N-[6-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]hexyl]-4,5,5-trimethylfuran-3-carboxamide?
The IUPAC name of 2-imino-N-[6-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]hexyl]-4,5,5-trimethylfuran-3-carboxamide (CID 71584517) is 2-imino-N-[6-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]hexyl]-4,5,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for 2-imino-N-[6-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]hexyl]-4,5,5-trimethylfuran-3-carboxamide?
The canonical SMILES for 2-imino-N-[6-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]hexyl]-4,5,5-trimethylfuran-3-carboxamide is [H]/N=C1\OC(C)(C)C(C)=C1C(=O)NCCCCCCNC(=O)C1=C(C)C(C)(C)O/C1=N\[H].
What is the InChIKey of 2-imino-N-[6-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]hexyl]-4,5,5-trimethylfuran-3-carboxamide?
The InChIKey is XUTRGPZQDJJGPD-BOYKQRMESA-N. The full InChI is InChI=1S/C22H34N4O4/c1-13-15(17(23)29-21(13,3)4)19(27)25-11-9-7-8-10-12-26-20(28)16-14(2)22(5,6)30-18(16)24/h23-24H,7-12H2,1-6H3,(H,25,27)(H,26,28)/b23-17-,24-18-.
What are the key properties of 2-imino-N-[6-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]hexyl]-4,5,5-trimethylfuran-3-carboxamide?
2-imino-N-[6-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]hexyl]-4,5,5-trimethylfuran-3-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 2.98, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N-[6-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]hexyl]-4,5,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 71584517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).