N-(8-aminooctyl)-4-hydroxy-2-oxochromene-3-carboxamide

C18H24N2O4 — CID 54735566

IUPACN-(8-aminooctyl)-4-hydroxy-2-oxochromene-3-carboxamide
SMILESNCCCCCCCCNC(=O)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C18H24N2O4/c19-11-7-3-1-2-4-8-12-20-17(22)15-16(21)13-9-5-6-10-14(13)24-18(15)23/h5-6,9-10,21H,1-4,7-8,11-12,19H2,(H,20,22)
InChIKeyTYAVGOMUUJNNSR-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.53
Rot. Bonds9

About N-(8-aminooctyl)-4-hydroxy-2-oxochromene-3-carboxamide

N-(8-aminooctyl)-4-hydroxy-2-oxochromene-3-carboxamide (PubChem CID 54735566) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-(8-aminooctyl)-4-hydroxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(8-aminooctyl)-4-hydroxy-2-oxochromene-3-carboxamide
PubChem CID54735566
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC NameN-(8-aminooctyl)-4-hydroxy-2-oxochromene-3-carboxamide
SMILESNCCCCCCCCNC(=O)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C18H24N2O4/c19-11-7-3-1-2-4-8-12-20-17(22)15-16(21)13-9-5-6-10-14(13)24-18(15)23/h5-6,9-10,21H,1-4,7-8,11-12,19H2,(H,20,22)
InChIKeyTYAVGOMUUJNNSR-UHFFFAOYSA-N
XLogP2.53
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.53
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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Frequently Asked Questions

What is the IUPAC name of N-(8-aminooctyl)-4-hydroxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-(8-aminooctyl)-4-hydroxy-2-oxochromene-3-carboxamide (CID 54735566) is N-(8-aminooctyl)-4-hydroxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(8-aminooctyl)-4-hydroxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(8-aminooctyl)-4-hydroxy-2-oxochromene-3-carboxamide is NCCCCCCCCNC(=O)c1c(O)c2ccccc2oc1=O.
What is the InChIKey of N-(8-aminooctyl)-4-hydroxy-2-oxochromene-3-carboxamide?
The InChIKey is TYAVGOMUUJNNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c19-11-7-3-1-2-4-8-12-20-17(22)15-16(21)13-9-5-6-10-14(13)24-18(15)23/h5-6,9-10,21H,1-4,7-8,11-12,19H2,(H,20,22).
What are the key properties of N-(8-aminooctyl)-4-hydroxy-2-oxochromene-3-carboxamide?
N-(8-aminooctyl)-4-hydroxy-2-oxochromene-3-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 2.53, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-aminooctyl)-4-hydroxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 54735566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).