4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide

C19H24N2O3 — CID 60589873

IUPAC4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2ccncc2)cc1OC
InChIInChI=1S/C19H24N2O3/c1-3-4-5-6-13-24-17-8-7-15(14-18(17)23-2)19(22)21-16-9-11-20-12-10-16/h7-12,14H,3-6,13H2,1-2H3,(H,20,21,22)
InChIKeyMDQFHWOFGYPSIT-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.30
Rot. Bonds9

About 4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide

4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide (PubChem CID 60589873) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide
PubChem CID60589873
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2ccncc2)cc1OC
InChIInChI=1S/C19H24N2O3/c1-3-4-5-6-13-24-17-8-7-15(14-18(17)23-2)19(22)21-16-9-11-20-12-10-16/h7-12,14H,3-6,13H2,1-2H3,(H,20,21,22)
InChIKeyMDQFHWOFGYPSIT-UHFFFAOYSA-N
XLogP4.30
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.30
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

N-(3-methoxy-4-tetradecoxybenzoyl)pyridine-4-carboxamide
CID 10027642
4-hexoxy-3-methoxy-N-(3-methylsulfonylphenyl)benzamide
CID 9071230
4-butoxy-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 26914609
N-[3-(hydroxymethyl)phenyl]-4-methoxy-3-tetradecoxybenzamide
CID 10050364
4-butoxy-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide
CID 2187837
4-butoxy-N-(3-fluoro-4-methylphenyl)-3-methoxybenzamide
CID 9216174
4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide
CID 3461577
4-butoxy-3-methoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219667
4-hexoxy-3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55360863
4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide
CID 27228846
3-methoxy-N-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-4-tetradecoxybenzamide bromide
CID 19925096
4-butoxy-3-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2666591

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide (CID 60589873) is 4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide is CCCCCCOc1ccc(C(=O)Nc2ccncc2)cc1OC.
What is the InChIKey of 4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide?
The InChIKey is MDQFHWOFGYPSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-4-5-6-13-24-17-8-7-15(14-18(17)23-2)19(22)21-16-9-11-20-12-10-16/h7-12,14H,3-6,13H2,1-2H3,(H,20,21,22).
What are the key properties of 4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide?
4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide has a molecular weight of 328.41 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 60589873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).