N-[6-(2,4-dimethylphenoxy)-3-pyridinyl]hexanamide

C19H24N2O2 — CID 42691192

IUPACN-[6-(2,4-dimethylphenoxy)-3-pyridinyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(Oc2ccc(C)cc2C)nc1
InChIInChI=1S/C19H24N2O2/c1-4-5-6-7-18(22)21-16-9-11-19(20-13-16)23-17-10-8-14(2)12-15(17)3/h8-13H,4-7H2,1-3H3,(H,21,22)
InChIKeyBVEIEZQIJDNEDX-UHFFFAOYSA-N
MW312.41 g/mol
LogP5.01
Rot. Bonds7

About N-[6-(2,4-dimethylphenoxy)-3-pyridinyl]hexanamide

N-[6-(2,4-dimethylphenoxy)-3-pyridinyl]hexanamide (PubChem CID 42691192) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[6-(2,4-dimethylphenoxy)-3-pyridinyl]hexanamide.

Molecular Properties

Compound NameN-[6-(2,4-dimethylphenoxy)-3-pyridinyl]hexanamide
PubChem CID42691192
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[6-(2,4-dimethylphenoxy)-3-pyridinyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(Oc2ccc(C)cc2C)nc1
InChIInChI=1S/C19H24N2O2/c1-4-5-6-7-18(22)21-16-9-11-19(20-13-16)23-17-10-8-14(2)12-15(17)3/h8-13H,4-7H2,1-3H3,(H,21,22)
InChIKeyBVEIEZQIJDNEDX-UHFFFAOYSA-N
XLogP5.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.41
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-pentylurea
CID 52627553
N-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]heptanamide
CID 10043319
hexyl 4-[4-(2,4-dimethylphenoxy)butanoylamino]benzoate
CID 19177713
4-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide
CID 119888503
4-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119852380
4-bromo-N-[3-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-3-oxopropyl]benzamide
CID 55675161
4-[[6-(2-ethoxyphenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 39194137
2-(2,4-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide
CID 19166514
N-(2,4-dimethylphenyl)-4-(hexanoylamino)benzamide
CID 3645447
4-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 39194109
N-[6-(pentanoylamino)-3-pyridinyl]pentanamide
CID 649725
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide
CID 55675008

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4-dimethylphenoxy)-3-pyridinyl]hexanamide?
The IUPAC name of N-[6-(2,4-dimethylphenoxy)-3-pyridinyl]hexanamide (CID 42691192) is N-[6-(2,4-dimethylphenoxy)-3-pyridinyl]hexanamide.
What is the SMILES notation for N-[6-(2,4-dimethylphenoxy)-3-pyridinyl]hexanamide?
The canonical SMILES for N-[6-(2,4-dimethylphenoxy)-3-pyridinyl]hexanamide is CCCCCC(=O)Nc1ccc(Oc2ccc(C)cc2C)nc1.
What is the InChIKey of N-[6-(2,4-dimethylphenoxy)-3-pyridinyl]hexanamide?
The InChIKey is BVEIEZQIJDNEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-4-5-6-7-18(22)21-16-9-11-19(20-13-16)23-17-10-8-14(2)12-15(17)3/h8-13H,4-7H2,1-3H3,(H,21,22).
What are the key properties of N-[6-(2,4-dimethylphenoxy)-3-pyridinyl]hexanamide?
N-[6-(2,4-dimethylphenoxy)-3-pyridinyl]hexanamide has a molecular weight of 312.41 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,4-dimethylphenoxy)-3-pyridinyl]hexanamide is sourced from PubChem (CID 42691192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).