N-(8-aminooctyl)-4-hydroxy-6-methyl-2-oxochromene-3-carboxamide

C19H26N2O4 — CID 54735567

IUPACN-(8-aminooctyl)-4-hydroxy-6-methyl-2-oxochromene-3-carboxamide
SMILESCc1ccc2oc(=O)c(C(=O)NCCCCCCCCN)c(O)c2c1
InChIInChI=1S/C19H26N2O4/c1-13-8-9-15-14(12-13)17(22)16(19(24)25-15)18(23)21-11-7-5-3-2-4-6-10-20/h8-9,12,22H,2-7,10-11,20H2,1H3,(H,21,23)
InChIKeyDOUPJHKELZSTNA-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.84
Rot. Bonds9

About N-(8-aminooctyl)-4-hydroxy-6-methyl-2-oxochromene-3-carboxamide

N-(8-aminooctyl)-4-hydroxy-6-methyl-2-oxochromene-3-carboxamide (PubChem CID 54735567) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(8-aminooctyl)-4-hydroxy-6-methyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(8-aminooctyl)-4-hydroxy-6-methyl-2-oxochromene-3-carboxamide
PubChem CID54735567
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC NameN-(8-aminooctyl)-4-hydroxy-6-methyl-2-oxochromene-3-carboxamide
SMILESCc1ccc2oc(=O)c(C(=O)NCCCCCCCCN)c(O)c2c1
InChIInChI=1S/C19H26N2O4/c1-13-8-9-15-14(12-13)17(22)16(19(24)25-15)18(23)21-11-7-5-3-2-4-6-10-20/h8-9,12,22H,2-7,10-11,20H2,1H3,(H,21,23)
InChIKeyDOUPJHKELZSTNA-UHFFFAOYSA-N
XLogP2.84
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.84
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-6-methyl-2-oxochromene-3-carboxamide?
The IUPAC name of N-(8-aminooctyl)-4-hydroxy-6-methyl-2-oxochromene-3-carboxamide (CID 54735567) is N-(8-aminooctyl)-4-hydroxy-6-methyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(8-aminooctyl)-4-hydroxy-6-methyl-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(8-aminooctyl)-4-hydroxy-6-methyl-2-oxochromene-3-carboxamide is Cc1ccc2oc(=O)c(C(=O)NCCCCCCCCN)c(O)c2c1.
What is the InChIKey of N-(8-aminooctyl)-4-hydroxy-6-methyl-2-oxochromene-3-carboxamide?
The InChIKey is DOUPJHKELZSTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13-8-9-15-14(12-13)17(22)16(19(24)25-15)18(23)21-11-7-5-3-2-4-6-10-20/h8-9,12,22H,2-7,10-11,20H2,1H3,(H,21,23).
What are the key properties of N-(8-aminooctyl)-4-hydroxy-6-methyl-2-oxochromene-3-carboxamide?
N-(8-aminooctyl)-4-hydroxy-6-methyl-2-oxochromene-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 2.84, 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-6-methyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 54735567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).