4-butoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide

C19H23N3O3 — CID 24686276

IUPAC4-butoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NCc2ccccn2)cc1
InChIInChI=1S/C19H23N3O3/c1-2-3-12-25-17-9-7-15(8-10-17)19(24)22-14-18(23)21-13-16-6-4-5-11-20-16/h4-11H,2-3,12-14H2,1H3,(H,21,23)(H,22,24)
InChIKeyPNIJRPOPLXSJGO-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.31
Rot. Bonds9

About 4-butoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide

4-butoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide (PubChem CID 24686276) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-butoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
PubChem CID24686276
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-butoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NCc2ccccn2)cc1
InChIInChI=1S/C19H23N3O3/c1-2-3-12-25-17-9-7-15(8-10-17)19(24)22-14-18(23)21-13-16-6-4-5-11-20-16/h4-11H,2-3,12-14H2,1H3,(H,21,23)(H,22,24)
InChIKeyPNIJRPOPLXSJGO-UHFFFAOYSA-N
XLogP2.31
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
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Ave-0118
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CID 118911741
N-{2-Furan-2-yl-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 2874943
N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
Nalpha-[trans-4-(Aminomethyl)cyclohexane-1-Carbonyl]-N-Octyl-O-[(Pyridin-4-Yl)methyl]-L-Tyrosinamide
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Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide (CID 24686276) is 4-butoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide is CCCCOc1ccc(C(=O)NCC(=O)NCc2ccccn2)cc1.
What is the InChIKey of 4-butoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide?
The InChIKey is PNIJRPOPLXSJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-3-12-25-17-9-7-15(8-10-17)19(24)22-14-18(23)21-13-16-6-4-5-11-20-16/h4-11H,2-3,12-14H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 4-butoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide?
4-butoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide has a molecular weight of 341.41 g/mol, XLogP of 2.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide is sourced from PubChem (CID 24686276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).