4-hexoxy-3-methoxy-N-(1-pyridin-2-ylethyl)benzamide

C21H28N2O3 — CID 55334786

IUPAC4-hexoxy-3-methoxy-N-(1-pyridin-2-ylethyl)benzamide
SMILESCCCCCCOc1ccc(C(=O)NC(C)c2ccccn2)cc1OC
InChIInChI=1S/C21H28N2O3/c1-4-5-6-9-14-26-19-12-11-17(15-20(19)25-3)21(24)23-16(2)18-10-7-8-13-22-18/h7-8,10-13,15-16H,4-6,9,14H2,1-3H3,(H,23,24)
InChIKeyOOLOKNZXHPGXEV-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.54
Rot. Bonds10

About 4-hexoxy-3-methoxy-N-(1-pyridin-2-ylethyl)benzamide

4-hexoxy-3-methoxy-N-(1-pyridin-2-ylethyl)benzamide (PubChem CID 55334786) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-hexoxy-3-methoxy-N-(1-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-hexoxy-3-methoxy-N-(1-pyridin-2-ylethyl)benzamide
PubChem CID55334786
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name4-hexoxy-3-methoxy-N-(1-pyridin-2-ylethyl)benzamide
SMILESCCCCCCOc1ccc(C(=O)NC(C)c2ccccn2)cc1OC
InChIInChI=1S/C21H28N2O3/c1-4-5-6-9-14-26-19-12-11-17(15-20(19)25-3)21(24)23-16(2)18-10-7-8-13-22-18/h7-8,10-13,15-16H,4-6,9,14H2,1-3H3,(H,23,24)
InChIKeyOOLOKNZXHPGXEV-UHFFFAOYSA-N
XLogP4.54
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.54
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

3-methoxy-4-(2-methylpropoxy)-N-(1-pyridin-2-ylethyl)benzamide
CID 112758953
3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
CID 55747285
4-methoxy-3-(propan-2-ylsulfamoyl)-N-(1-pyridin-2-ylethyl)benzamide
CID 24645477
3,4-dipentoxy-N-propan-2-ylbenzamide
CID 3575779
N-(3-methoxy-4-tetradecoxybenzoyl)pyridine-4-carboxamide
CID 10027642
6-methoxy-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 24645455
4-butoxy-N-(1-hydroxypropan-2-yl)-3-methoxybenzamide
CID 78856853
3-chloro-4-ethoxy-5-methoxy-N-(1-pyridin-2-ylethyl)benzamide
CID 43007006
4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide
CID 60589873
N-[1-(3-methoxy-4-tetradecoxyphenyl)ethyl]-1-methylpyridin-1-ium-2-carboxamide
CID 19016217
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 17009937
3,4-dimethoxy-N-[1-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 17009941

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-3-methoxy-N-(1-pyridin-2-ylethyl)benzamide?
The IUPAC name of 4-hexoxy-3-methoxy-N-(1-pyridin-2-ylethyl)benzamide (CID 55334786) is 4-hexoxy-3-methoxy-N-(1-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 4-hexoxy-3-methoxy-N-(1-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 4-hexoxy-3-methoxy-N-(1-pyridin-2-ylethyl)benzamide is CCCCCCOc1ccc(C(=O)NC(C)c2ccccn2)cc1OC.
What is the InChIKey of 4-hexoxy-3-methoxy-N-(1-pyridin-2-ylethyl)benzamide?
The InChIKey is OOLOKNZXHPGXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-4-5-6-9-14-26-19-12-11-17(15-20(19)25-3)21(24)23-16(2)18-10-7-8-13-22-18/h7-8,10-13,15-16H,4-6,9,14H2,1-3H3,(H,23,24).
What are the key properties of 4-hexoxy-3-methoxy-N-(1-pyridin-2-ylethyl)benzamide?
4-hexoxy-3-methoxy-N-(1-pyridin-2-ylethyl)benzamide has a molecular weight of 356.47 g/mol, XLogP of 4.54, 10 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-(1-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 55334786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).