N-hexoxy-2-(pyridin-4-ylmethylamino)benzamide

C19H25N3O2 — CID 91261880

IUPACN-hexoxy-2-(pyridin-4-ylmethylamino)benzamide
SMILESCCCCCCONC(=O)c1ccccc1NCc1ccncc1
InChIInChI=1S/C19H25N3O2/c1-2-3-4-7-14-24-22-19(23)17-8-5-6-9-18(17)21-15-16-10-12-20-13-11-16/h5-6,8-13,21H,2-4,7,14-15H2,1H3,(H,22,23)
InChIKeyGCYYPQXUEVWCLM-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.94
Rot. Bonds10

About N-hexoxy-2-(pyridin-4-ylmethylamino)benzamide

N-hexoxy-2-(pyridin-4-ylmethylamino)benzamide (PubChem CID 91261880) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-hexoxy-2-(pyridin-4-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-hexoxy-2-(pyridin-4-ylmethylamino)benzamide
PubChem CID91261880
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-hexoxy-2-(pyridin-4-ylmethylamino)benzamide
SMILESCCCCCCONC(=O)c1ccccc1NCc1ccncc1
InChIInChI=1S/C19H25N3O2/c1-2-3-4-7-14-24-22-19(23)17-8-5-6-9-18(17)21-15-16-10-12-20-13-11-16/h5-6,8-13,21H,2-4,7,14-15H2,1H3,(H,22,23)
InChIKeyGCYYPQXUEVWCLM-UHFFFAOYSA-N
XLogP3.94
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-pentoxyphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 58989953
N-(3-phenylmethoxypropoxy)-2-(pyridin-4-ylmethylamino)benzamide
CID 87281885
N-[(4-methylphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 11244953
N-pent-2-en-3-yloxy-2-(pyridin-4-ylmethylamino)benzamide
CID 91322862
N-[(3-butyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 91581577
2-(pyridin-4-ylmethylamino)-N-[2-[2-(trifluoromethyl)phenyl]ethoxy]benzamide
CID 87858763
N-[[4-(1,1-difluoroethyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 143056719
N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 11151978
N-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 87281754
2-(pyridin-4-ylmethylamino)-N-[[2-(trifluoromethylsulfanyl)phenyl]methoxy]benzamide
CID 58989986
2-(pyridin-4-ylmethylamino)benzoate
CID 3280709
N-[2-(aminomethyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide
CID 174430362

Frequently Asked Questions

What is the IUPAC name of N-hexoxy-2-(pyridin-4-ylmethylamino)benzamide?
The IUPAC name of N-hexoxy-2-(pyridin-4-ylmethylamino)benzamide (CID 91261880) is N-hexoxy-2-(pyridin-4-ylmethylamino)benzamide.
What is the SMILES notation for N-hexoxy-2-(pyridin-4-ylmethylamino)benzamide?
The canonical SMILES for N-hexoxy-2-(pyridin-4-ylmethylamino)benzamide is CCCCCCONC(=O)c1ccccc1NCc1ccncc1.
What is the InChIKey of N-hexoxy-2-(pyridin-4-ylmethylamino)benzamide?
The InChIKey is GCYYPQXUEVWCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-2-3-4-7-14-24-22-19(23)17-8-5-6-9-18(17)21-15-16-10-12-20-13-11-16/h5-6,8-13,21H,2-4,7,14-15H2,1H3,(H,22,23).
What are the key properties of N-hexoxy-2-(pyridin-4-ylmethylamino)benzamide?
N-hexoxy-2-(pyridin-4-ylmethylamino)benzamide has a molecular weight of 327.43 g/mol, XLogP of 3.94, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexoxy-2-(pyridin-4-ylmethylamino)benzamide is sourced from PubChem (CID 91261880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).