4-(3-methylbutoxy)-N-(pyridin-3-ylmethyl)benzamide

C18H22N2O2 — CID 17199623

IUPAC4-(3-methylbutoxy)-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(C)CCOc1ccc(C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C18H22N2O2/c1-14(2)9-11-22-17-7-5-16(6-8-17)18(21)20-13-15-4-3-10-19-12-15/h3-8,10,12,14H,9,11,13H2,1-2H3,(H,20,21)
InChIKeyFXLNIAFJWBUYPE-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.44
Rot. Bonds7

About 4-(3-methylbutoxy)-N-(pyridin-3-ylmethyl)benzamide

4-(3-methylbutoxy)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 17199623) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-(3-methylbutoxy)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(3-methylbutoxy)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID17199623
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-(3-methylbutoxy)-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(C)CCOc1ccc(C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C18H22N2O2/c1-14(2)9-11-22-17-7-5-16(6-8-17)18(21)20-13-15-4-3-10-19-12-15/h3-8,10,12,14H,9,11,13H2,1-2H3,(H,20,21)
InChIKeyFXLNIAFJWBUYPE-UHFFFAOYSA-N
XLogP3.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
1-[4-(3-methylbutoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 28671880
4-(3-methylbutoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911086
3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199628
3-N-(3-methylbutyl)-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106009
4-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
CID 47265352
N-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46590121
3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 4552071
2-(3-methylbutoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide
CID 17199820
4-phenyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 46476162
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
4-(ethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 62184718

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-(3-methylbutoxy)-N-(pyridin-3-ylmethyl)benzamide (CID 17199623) is 4-(3-methylbutoxy)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(3-methylbutoxy)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-(3-methylbutoxy)-N-(pyridin-3-ylmethyl)benzamide is CC(C)CCOc1ccc(C(=O)NCc2cccnc2)cc1.
What is the InChIKey of 4-(3-methylbutoxy)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is FXLNIAFJWBUYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14(2)9-11-22-17-7-5-16(6-8-17)18(21)20-13-15-4-3-10-19-12-15/h3-8,10,12,14H,9,11,13H2,1-2H3,(H,20,21).
What are the key properties of 4-(3-methylbutoxy)-N-(pyridin-3-ylmethyl)benzamide?
4-(3-methylbutoxy)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 298.39 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 17199623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).