N-(6-benzamidohexyl)-4-hydroxy-2-oxochromene-3-carboxamide

C23H24N2O5 — CID 54706041

IUPACN-(6-benzamidohexyl)-4-hydroxy-2-oxochromene-3-carboxamide
SMILESO=C(NCCCCCCNC(=O)c1c(O)c2ccccc2oc1=O)c1ccccc1
InChIInChI=1S/C23H24N2O5/c26-20-17-12-6-7-13-18(17)30-23(29)19(20)22(28)25-15-9-2-1-8-14-24-21(27)16-10-4-3-5-11-16/h3-7,10-13,26H,1-2,8-9,14-15H2,(H,24,27)(H,25,28)
InChIKeyOSPDUYRXGXKVEG-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.22
Rot. Bonds9

About N-(6-benzamidohexyl)-4-hydroxy-2-oxochromene-3-carboxamide

N-(6-benzamidohexyl)-4-hydroxy-2-oxochromene-3-carboxamide (PubChem CID 54706041) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is N-(6-benzamidohexyl)-4-hydroxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(6-benzamidohexyl)-4-hydroxy-2-oxochromene-3-carboxamide
PubChem CID54706041
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC NameN-(6-benzamidohexyl)-4-hydroxy-2-oxochromene-3-carboxamide
SMILESO=C(NCCCCCCNC(=O)c1c(O)c2ccccc2oc1=O)c1ccccc1
InChIInChI=1S/C23H24N2O5/c26-20-17-12-6-7-13-18(17)30-23(29)19(20)22(28)25-15-9-2-1-8-14-24-21(27)16-10-4-3-5-11-16/h3-7,10-13,26H,1-2,8-9,14-15H2,(H,24,27)(H,25,28)
InChIKeyOSPDUYRXGXKVEG-UHFFFAOYSA-N
XLogP3.22
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-[2-(methanesulfonamido)ethyl]-2-oxochromene-3-carboxamide
CID 54715285
3-benzoyl-4-hydroxychromen-2-one
CID 135407308
4-[bis(4-hydroxy-2-oxochromen-3-yl)methyl]-N-[12-(2,5-dioxopyrrol-1-yl)dodecyl]benzamide
CID 141487161
4-hydroxy-N-naphthalen-1-yl-2-oxochromene-3-carboxamide
CID 54748267
4-hydroxy-2-oxo-N-pyrimidin-2-ylchromene-3-carboxamide
CID 54695908
3-(benzenecarboximidoyl)-4-hydroxychromen-2-one
CID 136744642
3-dodecanoyl-4-hydroxychromen-2-one
CID 54695440
N-(2-aminophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
CID 54736250
N-(4-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
CID 54698718
N-[(4-hydroxy-2-oxochromen-3-yl)methyl]pyridine-3-carboxamide
CID 54703150
4-hydroxy-3-[3-(4-hydroxy-2-oxochromen-3-yl)-2-oxopropyl]chromen-2-one
CID 54677997
N-[11-(anthracene-9-carbonylamino)undecyl]anthracene-9-carboxamide
CID 137492006

Frequently Asked Questions

What is the IUPAC name of N-(6-benzamidohexyl)-4-hydroxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-(6-benzamidohexyl)-4-hydroxy-2-oxochromene-3-carboxamide (CID 54706041) is N-(6-benzamidohexyl)-4-hydroxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(6-benzamidohexyl)-4-hydroxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(6-benzamidohexyl)-4-hydroxy-2-oxochromene-3-carboxamide is O=C(NCCCCCCNC(=O)c1c(O)c2ccccc2oc1=O)c1ccccc1.
What is the InChIKey of N-(6-benzamidohexyl)-4-hydroxy-2-oxochromene-3-carboxamide?
The InChIKey is OSPDUYRXGXKVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c26-20-17-12-6-7-13-18(17)30-23(29)19(20)22(28)25-15-9-2-1-8-14-24-21(27)16-10-4-3-5-11-16/h3-7,10-13,26H,1-2,8-9,14-15H2,(H,24,27)(H,25,28).
What are the key properties of N-(6-benzamidohexyl)-4-hydroxy-2-oxochromene-3-carboxamide?
N-(6-benzamidohexyl)-4-hydroxy-2-oxochromene-3-carboxamide has a molecular weight of 408.45 g/mol, XLogP of 3.22, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-benzamidohexyl)-4-hydroxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 54706041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).