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

C18H26N4O4 — CID 71584247

IUPAC2-imino-N-[2-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]ethyl]-4,5,5-trimethylfuran-3-carboxamide
SMILES[H]/N=C1\OC(C)(C)C(C)=C1C(=O)NCCNC(=O)C1=C(C)C(C)(C)O/C1=N\[H]
InChIInChI=1S/C18H26N4O4/c1-9-11(13(19)25-17(9,3)4)15(23)21-7-8-22-16(24)12-10(2)18(5,6)26-14(12)20/h19-20H,7-8H2,1-6H3,(H,21,23)(H,22,24)/b19-13-,20-14-
InChIKeyYHIYSQFYTHMSCA-AXPXABNXSA-N
MW362.43 g/mol
LogP1.42
Rot. Bonds5

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

2-imino-N-[2-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]ethyl]-4,5,5-trimethylfuran-3-carboxamide (PubChem CID 71584247) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-imino-N-[2-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]ethyl]-4,5,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound Name2-imino-N-[2-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]ethyl]-4,5,5-trimethylfuran-3-carboxamide
PubChem CID71584247
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name2-imino-N-[2-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]ethyl]-4,5,5-trimethylfuran-3-carboxamide
SMILES[H]/N=C1\OC(C)(C)C(C)=C1C(=O)NCCNC(=O)C1=C(C)C(C)(C)O/C1=N\[H]
InChIInChI=1S/C18H26N4O4/c1-9-11(13(19)25-17(9,3)4)15(23)21-7-8-22-16(24)12-10(2)18(5,6)26-14(12)20/h19-20H,7-8H2,1-6H3,(H,21,23)(H,22,24)/b19-13-,20-14-
InChIKeyYHIYSQFYTHMSCA-AXPXABNXSA-N
XLogP1.42
TPSA124.36 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.42
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-[2-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]ethyl]-4,5,5-trimethylfuran-3-carboxamide with MolForge

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Related Compounds

2-imino-N-[6-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]hexyl]-4,5,5-trimethylfuran-3-carboxamide
CID 71584517
4,5,5-trimethyl-2-oxo-N-[6-[(4,5,5-trimethyl-2-oxofuran-3-carbonyl)amino]hexyl]furan-3-carboxamide
CID 102518239
N-benzyl-2-(dicyanomethylidene)-4,5,5-trimethylfuran-3-carboxamide
CID 102282464
4-methyl-2-methylimino-N-[6-[(4-methyl-2-methylimino-1-oxaspiro[4.5]dec-3-ene-3-carbonyl)amino]hexyl]-1-oxaspiro[4.5]dec-3-ene-3-carboxamide
CID 71582922
ethyl 5-[(2,2,3-trimethylchromene-6-carbonyl)amino]pentanoate
CID 22904018
5-(methoxymethyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500596
3,4-dimethyl-1-N,2-N-bis(4-methyl-3-oxopent-4-enyl)cyclobuta-1,3-diene-1,2-dicarboxamide
CID 67764312
4-(2-methylpropanimidoyl)-N-pentylbenzamide
CID 143092439
N-(3-amino-3-sulfanylidenepropyl)-5-methylthiophene-2-carboxamide
CID 62665926
methyl (3S,4S)-3-hydroxy-2,3,4-trimethyl-5-oxocyclopentene-1-carboxylate
CID 101063156
5-methyl-N-[6-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]hexyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 11578244
N-[2-(ethylamino)ethyl]-5-(methoxymethyl)furan-2-carboxamide;hydrochloride
CID 119505332

Frequently Asked Questions

What is the IUPAC name of 2-imino-N-[2-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]ethyl]-4,5,5-trimethylfuran-3-carboxamide?
The IUPAC name of 2-imino-N-[2-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]ethyl]-4,5,5-trimethylfuran-3-carboxamide (CID 71584247) is 2-imino-N-[2-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]ethyl]-4,5,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for 2-imino-N-[2-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]ethyl]-4,5,5-trimethylfuran-3-carboxamide?
The canonical SMILES for 2-imino-N-[2-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]ethyl]-4,5,5-trimethylfuran-3-carboxamide is [H]/N=C1\OC(C)(C)C(C)=C1C(=O)NCCNC(=O)C1=C(C)C(C)(C)O/C1=N\[H].
What is the InChIKey of 2-imino-N-[2-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]ethyl]-4,5,5-trimethylfuran-3-carboxamide?
The InChIKey is YHIYSQFYTHMSCA-AXPXABNXSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-9-11(13(19)25-17(9,3)4)15(23)21-7-8-22-16(24)12-10(2)18(5,6)26-14(12)20/h19-20H,7-8H2,1-6H3,(H,21,23)(H,22,24)/b19-13-,20-14-.
What are the key properties of 2-imino-N-[2-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]ethyl]-4,5,5-trimethylfuran-3-carboxamide?
2-imino-N-[2-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]ethyl]-4,5,5-trimethylfuran-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 1.42, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N-[2-[(2-imino-4,5,5-trimethylfuran-3-carbonyl)amino]ethyl]-4,5,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 71584247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).