8-[1-(5-hydroxypentoxy)ethenyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide

C23H30N2O6 — CID 162410959

IUPAC8-[1-(5-hydroxypentoxy)ethenyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
SMILESC=C(OCCCCCO)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C23H30N2O6/c1-16(30-10-6-4-5-9-26)18-13-17(23(28)24(2)3)14-19-20(27)15-21(31-22(18)19)25-7-11-29-12-8-25/h13-15,26H,1,4-12H2,2-3H3
InChIKeyKOMLRSVRNOKFKZ-UHFFFAOYSA-N
MW430.50 g/mol
LogP2.48
Rot. Bonds9

About 8-[1-(5-hydroxypentoxy)ethenyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide

8-[1-(5-hydroxypentoxy)ethenyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide (PubChem CID 162410959) has the molecular formula C23H30N2O6 and a molecular weight of 430.50 g/mol. Its IUPAC name is 8-[1-(5-hydroxypentoxy)ethenyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide.

Molecular Properties

Compound Name8-[1-(5-hydroxypentoxy)ethenyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
PubChem CID162410959
Molecular FormulaC23H30N2O6
Molecular Weight430.50 g/mol
Exact Mass430.21
IUPAC Name8-[1-(5-hydroxypentoxy)ethenyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
SMILESC=C(OCCCCCO)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C23H30N2O6/c1-16(30-10-6-4-5-9-26)18-13-17(23(28)24(2)3)14-19-20(27)15-21(31-22(18)19)25-7-11-29-12-8-25/h13-15,26H,1,4-12H2,2-3H3
InChIKeyKOMLRSVRNOKFKZ-UHFFFAOYSA-N
XLogP2.48
TPSA92.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(5-hydroxypentoxy)ethenyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The IUPAC name of 8-[1-(5-hydroxypentoxy)ethenyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide (CID 162410959) is 8-[1-(5-hydroxypentoxy)ethenyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide.
What is the SMILES notation for 8-[1-(5-hydroxypentoxy)ethenyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The canonical SMILES for 8-[1-(5-hydroxypentoxy)ethenyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide is C=C(OCCCCCO)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12.
What is the InChIKey of 8-[1-(5-hydroxypentoxy)ethenyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The InChIKey is KOMLRSVRNOKFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6/c1-16(30-10-6-4-5-9-26)18-13-17(23(28)24(2)3)14-19-20(27)15-21(31-22(18)19)25-7-11-29-12-8-25/h13-15,26H,1,4-12H2,2-3H3.
What are the key properties of 8-[1-(5-hydroxypentoxy)ethenyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
8-[1-(5-hydroxypentoxy)ethenyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide has a molecular weight of 430.50 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(5-hydroxypentoxy)ethenyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide is sourced from PubChem (CID 162410959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).