N-(6-oxo-8-pyridin-3-yloctyl)-2-(2-phenylphenoxy)acetamide

C27H30N2O3 — CID 149030171

IUPACN-(6-oxo-8-pyridin-3-yloctyl)-2-(2-phenylphenoxy)acetamide
SMILESO=C(CCCCCNC(=O)COc1ccccc1-c1ccccc1)CCc1cccnc1
InChIInChI=1S/C27H30N2O3/c30-24(17-16-22-10-9-18-28-20-22)13-5-2-8-19-29-27(31)21-32-26-15-7-6-14-25(26)23-11-3-1-4-12-23/h1,3-4,6-7,9-12,14-15,18,20H,2,5,8,13,16-17,19,21H2,(H,29,31)
InChIKeyQFHCHZRWQIZTJE-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.01
Rot. Bonds13

About N-(6-oxo-8-pyridin-3-yloctyl)-2-(2-phenylphenoxy)acetamide

N-(6-oxo-8-pyridin-3-yloctyl)-2-(2-phenylphenoxy)acetamide (PubChem CID 149030171) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-(6-oxo-8-pyridin-3-yloctyl)-2-(2-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-(6-oxo-8-pyridin-3-yloctyl)-2-(2-phenylphenoxy)acetamide
PubChem CID149030171
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC NameN-(6-oxo-8-pyridin-3-yloctyl)-2-(2-phenylphenoxy)acetamide
SMILESO=C(CCCCCNC(=O)COc1ccccc1-c1ccccc1)CCc1cccnc1
InChIInChI=1S/C27H30N2O3/c30-24(17-16-22-10-9-18-28-20-22)13-5-2-8-19-29-27(31)21-32-26-15-7-6-14-25(26)23-11-3-1-4-12-23/h1,3-4,6-7,9-12,14-15,18,20H,2,5,8,13,16-17,19,21H2,(H,29,31)
InChIKeyQFHCHZRWQIZTJE-UHFFFAOYSA-N
XLogP5.01
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

11-(2-phenylphenoxy)-1-pyridin-3-ylundecan-3-one
CID 147752746
1-[4-[2-(2-phenylphenoxy)ethyl]phenyl]-5-pyridin-3-ylpentan-3-one
CID 161218942
2-(2-phenylphenoxy)-N-propylacetamide
CID 112788813
N-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]-3-pyridin-3-ylpropanamide
CID 22397709
1-phenyl-7-pyridin-3-ylheptan-4-one
CID 12701571
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-phenylphenoxy)acetate
CID 8920134
3-[1-[6-(2-phenylphenoxy)hexyl]triazol-4-yl]pyridine;2-phenyl-N-[6-(4-pyridin-3-yltriazol-1-yl)hexyl]benzamide
CID 160699416
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
1-[4-[(4-hydroxy-2-phenylphenoxy)methyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 158616278
N-[2-[[2-(2-phenylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 51153241
1-[4-[[2-(4-methylsulfonylphenyl)phenoxy]methyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 147923950
N-(8-oxononyl)-2-phenoxyacetamide
CID 157092159

Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-8-pyridin-3-yloctyl)-2-(2-phenylphenoxy)acetamide?
The IUPAC name of N-(6-oxo-8-pyridin-3-yloctyl)-2-(2-phenylphenoxy)acetamide (CID 149030171) is N-(6-oxo-8-pyridin-3-yloctyl)-2-(2-phenylphenoxy)acetamide.
What is the SMILES notation for N-(6-oxo-8-pyridin-3-yloctyl)-2-(2-phenylphenoxy)acetamide?
The canonical SMILES for N-(6-oxo-8-pyridin-3-yloctyl)-2-(2-phenylphenoxy)acetamide is O=C(CCCCCNC(=O)COc1ccccc1-c1ccccc1)CCc1cccnc1.
What is the InChIKey of N-(6-oxo-8-pyridin-3-yloctyl)-2-(2-phenylphenoxy)acetamide?
The InChIKey is QFHCHZRWQIZTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c30-24(17-16-22-10-9-18-28-20-22)13-5-2-8-19-29-27(31)21-32-26-15-7-6-14-25(26)23-11-3-1-4-12-23/h1,3-4,6-7,9-12,14-15,18,20H,2,5,8,13,16-17,19,21H2,(H,29,31).
What are the key properties of N-(6-oxo-8-pyridin-3-yloctyl)-2-(2-phenylphenoxy)acetamide?
N-(6-oxo-8-pyridin-3-yloctyl)-2-(2-phenylphenoxy)acetamide has a molecular weight of 430.55 g/mol, XLogP of 5.01, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-8-pyridin-3-yloctyl)-2-(2-phenylphenoxy)acetamide is sourced from PubChem (CID 149030171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).