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

C16H20N2O4 — CID 54707951

IUPACN-(6-aminohexyl)-4-hydroxy-2-oxochromene-3-carboxamide
SMILESNCCCCCCNC(=O)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C16H20N2O4/c17-9-5-1-2-6-10-18-15(20)13-14(19)11-7-3-4-8-12(11)22-16(13)21/h3-4,7-8,19H,1-2,5-6,9-10,17H2,(H,18,20)
InChIKeyUEUKMTGCAGBKEG-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.75
Rot. Bonds7

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

N-(6-aminohexyl)-4-hydroxy-2-oxochromene-3-carboxamide (PubChem CID 54707951) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(6-aminohexyl)-4-hydroxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-4-hydroxy-2-oxochromene-3-carboxamide
PubChem CID54707951
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-(6-aminohexyl)-4-hydroxy-2-oxochromene-3-carboxamide
SMILESNCCCCCCNC(=O)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C16H20N2O4/c17-9-5-1-2-6-10-18-15(20)13-14(19)11-7-3-4-8-12(11)22-16(13)21/h3-4,7-8,19H,1-2,5-6,9-10,17H2,(H,18,20)
InChIKeyUEUKMTGCAGBKEG-UHFFFAOYSA-N
XLogP1.75
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.75
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-(6-aminohexyl)-4-hydroxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-(6-aminohexyl)-4-hydroxy-2-oxochromene-3-carboxamide (CID 54707951) is N-(6-aminohexyl)-4-hydroxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(6-aminohexyl)-4-hydroxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(6-aminohexyl)-4-hydroxy-2-oxochromene-3-carboxamide is NCCCCCCNC(=O)c1c(O)c2ccccc2oc1=O.
What is the InChIKey of N-(6-aminohexyl)-4-hydroxy-2-oxochromene-3-carboxamide?
The InChIKey is UEUKMTGCAGBKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c17-9-5-1-2-6-10-18-15(20)13-14(19)11-7-3-4-8-12(11)22-16(13)21/h3-4,7-8,19H,1-2,5-6,9-10,17H2,(H,18,20).
What are the key properties of N-(6-aminohexyl)-4-hydroxy-2-oxochromene-3-carboxamide?
N-(6-aminohexyl)-4-hydroxy-2-oxochromene-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-4-hydroxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 54707951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).