5-hydroxy-7-methoxy-N-[6-[(2-methoxyphenyl)methyl-methylamino]hexyl]-4-oxochromene-2-carboxamide

C26H32N2O6 — CID 118727376

IUPAC5-hydroxy-7-methoxy-N-[6-[(2-methoxyphenyl)methyl-methylamino]hexyl]-4-oxochromene-2-carboxamide
SMILESCOc1cc(O)c2c(=O)cc(C(=O)NCCCCCCN(C)Cc3ccccc3OC)oc2c1
InChIInChI=1S/C26H32N2O6/c1-28(17-18-10-6-7-11-22(18)33-3)13-9-5-4-8-12-27-26(31)24-16-21(30)25-20(29)14-19(32-2)15-23(25)34-24/h6-7,10-11,14-16,29H,4-5,8-9,12-13,17H2,1-3H3,(H,27,31)
InChIKeyVLOMEILIKQSBAS-UHFFFAOYSA-N
MW468.55 g/mol
LogP3.94
Rot. Bonds12

About 5-hydroxy-7-methoxy-N-[6-[(2-methoxyphenyl)methyl-methylamino]hexyl]-4-oxochromene-2-carboxamide

5-hydroxy-7-methoxy-N-[6-[(2-methoxyphenyl)methyl-methylamino]hexyl]-4-oxochromene-2-carboxamide (PubChem CID 118727376) has the molecular formula C26H32N2O6 and a molecular weight of 468.55 g/mol. Its IUPAC name is 5-hydroxy-7-methoxy-N-[6-[(2-methoxyphenyl)methyl-methylamino]hexyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name5-hydroxy-7-methoxy-N-[6-[(2-methoxyphenyl)methyl-methylamino]hexyl]-4-oxochromene-2-carboxamide
PubChem CID118727376
Molecular FormulaC26H32N2O6
Molecular Weight468.55 g/mol
Exact Mass468.23
IUPAC Name5-hydroxy-7-methoxy-N-[6-[(2-methoxyphenyl)methyl-methylamino]hexyl]-4-oxochromene-2-carboxamide
SMILESCOc1cc(O)c2c(=O)cc(C(=O)NCCCCCCN(C)Cc3ccccc3OC)oc2c1
InChIInChI=1S/C26H32N2O6/c1-28(17-18-10-6-7-11-22(18)33-3)13-9-5-4-8-12-27-26(31)24-16-21(30)25-20(29)14-19(32-2)15-23(25)34-24/h6-7,10-11,14-16,29H,4-5,8-9,12-13,17H2,1-3H3,(H,27,31)
InChIKeyVLOMEILIKQSBAS-UHFFFAOYSA-N
XLogP3.94
TPSA101.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 5-hydroxy-7-methoxy-N-[6-[(2-methoxyphenyl)methyl-methylamino]hexyl]-4-oxochromene-2-carboxamide?
The IUPAC name of 5-hydroxy-7-methoxy-N-[6-[(2-methoxyphenyl)methyl-methylamino]hexyl]-4-oxochromene-2-carboxamide (CID 118727376) is 5-hydroxy-7-methoxy-N-[6-[(2-methoxyphenyl)methyl-methylamino]hexyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for 5-hydroxy-7-methoxy-N-[6-[(2-methoxyphenyl)methyl-methylamino]hexyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for 5-hydroxy-7-methoxy-N-[6-[(2-methoxyphenyl)methyl-methylamino]hexyl]-4-oxochromene-2-carboxamide is COc1cc(O)c2c(=O)cc(C(=O)NCCCCCCN(C)Cc3ccccc3OC)oc2c1.
What is the InChIKey of 5-hydroxy-7-methoxy-N-[6-[(2-methoxyphenyl)methyl-methylamino]hexyl]-4-oxochromene-2-carboxamide?
The InChIKey is VLOMEILIKQSBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O6/c1-28(17-18-10-6-7-11-22(18)33-3)13-9-5-4-8-12-27-26(31)24-16-21(30)25-20(29)14-19(32-2)15-23(25)34-24/h6-7,10-11,14-16,29H,4-5,8-9,12-13,17H2,1-3H3,(H,27,31).
What are the key properties of 5-hydroxy-7-methoxy-N-[6-[(2-methoxyphenyl)methyl-methylamino]hexyl]-4-oxochromene-2-carboxamide?
5-hydroxy-7-methoxy-N-[6-[(2-methoxyphenyl)methyl-methylamino]hexyl]-4-oxochromene-2-carboxamide has a molecular weight of 468.55 g/mol, XLogP of 3.94, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-methoxy-N-[6-[(2-methoxyphenyl)methyl-methylamino]hexyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 118727376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).