6-hexyl-7-hydroxy-2-imino-N-methylchromene-3-carboxamide

C17H22N2O3 — CID 135432322

IUPAC6-hexyl-7-hydroxy-2-imino-N-methylchromene-3-carboxamide
SMILES[H]/N=c1\oc2cc(O)c(CCCCCC)cc2cc1C(=O)NC
InChIInChI=1S/C17H22N2O3/c1-3-4-5-6-7-11-8-12-9-13(17(21)19-2)16(18)22-15(12)10-14(11)20/h8-10,18,20H,3-7H2,1-2H3,(H,19,21)/b18-16-
InChIKeyHLRQXOWVEJTJPF-VLGSPTGOSA-N
MW302.37 g/mol
LogP3.10
Rot. Bonds6

About 6-hexyl-7-hydroxy-2-imino-N-methylchromene-3-carboxamide

6-hexyl-7-hydroxy-2-imino-N-methylchromene-3-carboxamide (PubChem CID 135432322) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 6-hexyl-7-hydroxy-2-imino-N-methylchromene-3-carboxamide.

Molecular Properties

Compound Name6-hexyl-7-hydroxy-2-imino-N-methylchromene-3-carboxamide
PubChem CID135432322
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name6-hexyl-7-hydroxy-2-imino-N-methylchromene-3-carboxamide
SMILES[H]/N=c1\oc2cc(O)c(CCCCCC)cc2cc1C(=O)NC
InChIInChI=1S/C17H22N2O3/c1-3-4-5-6-7-11-8-12-9-13(17(21)19-2)16(18)22-15(12)10-14(11)20/h8-10,18,20H,3-7H2,1-2H3,(H,19,21)/b18-16-
InChIKeyHLRQXOWVEJTJPF-VLGSPTGOSA-N
XLogP3.10
TPSA86.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hexyl-7-hydroxy-2-imino-N-methylchromene-3-carboxamide?
The IUPAC name of 6-hexyl-7-hydroxy-2-imino-N-methylchromene-3-carboxamide (CID 135432322) is 6-hexyl-7-hydroxy-2-imino-N-methylchromene-3-carboxamide.
What is the SMILES notation for 6-hexyl-7-hydroxy-2-imino-N-methylchromene-3-carboxamide?
The canonical SMILES for 6-hexyl-7-hydroxy-2-imino-N-methylchromene-3-carboxamide is [H]/N=c1\oc2cc(O)c(CCCCCC)cc2cc1C(=O)NC.
What is the InChIKey of 6-hexyl-7-hydroxy-2-imino-N-methylchromene-3-carboxamide?
The InChIKey is HLRQXOWVEJTJPF-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-3-4-5-6-7-11-8-12-9-13(17(21)19-2)16(18)22-15(12)10-14(11)20/h8-10,18,20H,3-7H2,1-2H3,(H,19,21)/b18-16-.
What are the key properties of 6-hexyl-7-hydroxy-2-imino-N-methylchromene-3-carboxamide?
6-hexyl-7-hydroxy-2-imino-N-methylchromene-3-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexyl-7-hydroxy-2-imino-N-methylchromene-3-carboxamide is sourced from PubChem (CID 135432322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).