N-(4-pentoxyphenyl)-4-(5-pentyl-2-pyridinyl)benzamide

C28H34N2O2 — CID 3324314

IUPACN-(4-pentoxyphenyl)-4-(5-pentyl-2-pyridinyl)benzamide
SMILESCCCCCOc1ccc(NC(=O)c2ccc(-c3ccc(CCCCC)cn3)cc2)cc1
InChIInChI=1S/C28H34N2O2/c1-3-5-7-9-22-10-19-27(29-21-22)23-11-13-24(14-12-23)28(31)30-25-15-17-26(18-16-25)32-20-8-6-4-2/h10-19,21H,3-9,20H2,1-2H3,(H,30,31)
InChIKeyVUGTULGKHBGLFJ-UHFFFAOYSA-N
MW430.59 g/mol
LogP7.30
Rot. Bonds12

About N-(4-pentoxyphenyl)-4-(5-pentyl-2-pyridinyl)benzamide

N-(4-pentoxyphenyl)-4-(5-pentyl-2-pyridinyl)benzamide (PubChem CID 3324314) has the molecular formula C28H34N2O2 and a molecular weight of 430.59 g/mol. Its IUPAC name is N-(4-pentoxyphenyl)-4-(5-pentyl-2-pyridinyl)benzamide.

Molecular Properties

Compound NameN-(4-pentoxyphenyl)-4-(5-pentyl-2-pyridinyl)benzamide
PubChem CID3324314
Molecular FormulaC28H34N2O2
Molecular Weight430.59 g/mol
Exact Mass430.26
IUPAC NameN-(4-pentoxyphenyl)-4-(5-pentyl-2-pyridinyl)benzamide
SMILESCCCCCOc1ccc(NC(=O)c2ccc(-c3ccc(CCCCC)cn3)cc2)cc1
InChIInChI=1S/C28H34N2O2/c1-3-5-7-9-22-10-19-27(29-21-22)23-11-13-24(14-12-23)28(31)30-25-15-17-26(18-16-25)32-20-8-6-4-2/h10-19,21H,3-9,20H2,1-2H3,(H,30,31)
InChIKeyVUGTULGKHBGLFJ-UHFFFAOYSA-N
XLogP7.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.59
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-pentoxyphenyl)-4-(5-pentyl-2-pyridinyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-pentoxyphenyl) 4-(5-pentyl-2-pyridinyl)benzoate
CID 3539341
5-dodecyl-2-(4-octoxyphenyl)pyridine
CID 139626618
2-[4-(6-methoxyhexoxy)phenyl]-5-nonylpyridine
CID 22445683
2-[4-[2-(4-octoxyphenyl)ethyl]phenyl]-5-octylpyridine
CID 19841838
N-[3,5-bis[[6-(4-pentylphenyl)pyridine-3-carbonyl]amino]phenyl]-6-(4-pentylphenyl)pyridine-3-carboxamide
CID 140904471
5-pentyl-2-[4-(4-propoxyphenyl)phenyl]pyridine
CID 19859964
2-[4-[2-(4-butoxyphenyl)ethyl]phenyl]-5-heptylpyridine
CID 19842054
[6-(4-heptoxyphenyl)-3-pyridinyl] 4-hexylbenzoate
CID 139624084
N-(4-iodophenyl)-4-pentoxybenzamide
CID 4935000
4-(5-pentyl-2-pyridinyl)-N-quinolin-3-ylbenzamide
CID 5174853
2-[4-(5-ethoxypentoxy)phenyl]-5-nonylpyridine
CID 22445582
N-(4-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide
CID 101044220

Frequently Asked Questions

What is the IUPAC name of N-(4-pentoxyphenyl)-4-(5-pentyl-2-pyridinyl)benzamide?
The IUPAC name of N-(4-pentoxyphenyl)-4-(5-pentyl-2-pyridinyl)benzamide (CID 3324314) is N-(4-pentoxyphenyl)-4-(5-pentyl-2-pyridinyl)benzamide.
What is the SMILES notation for N-(4-pentoxyphenyl)-4-(5-pentyl-2-pyridinyl)benzamide?
The canonical SMILES for N-(4-pentoxyphenyl)-4-(5-pentyl-2-pyridinyl)benzamide is CCCCCOc1ccc(NC(=O)c2ccc(-c3ccc(CCCCC)cn3)cc2)cc1.
What is the InChIKey of N-(4-pentoxyphenyl)-4-(5-pentyl-2-pyridinyl)benzamide?
The InChIKey is VUGTULGKHBGLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O2/c1-3-5-7-9-22-10-19-27(29-21-22)23-11-13-24(14-12-23)28(31)30-25-15-17-26(18-16-25)32-20-8-6-4-2/h10-19,21H,3-9,20H2,1-2H3,(H,30,31).
What are the key properties of N-(4-pentoxyphenyl)-4-(5-pentyl-2-pyridinyl)benzamide?
N-(4-pentoxyphenyl)-4-(5-pentyl-2-pyridinyl)benzamide has a molecular weight of 430.59 g/mol, XLogP of 7.30, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pentoxyphenyl)-4-(5-pentyl-2-pyridinyl)benzamide is sourced from PubChem (CID 3324314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).