4-propoxy-N-(pyridin-4-ylmethyl)benzamide

C16H18N2O2 — CID 6459003

IUPAC4-propoxy-N-(pyridin-4-ylmethyl)benzamide
SMILESCCCOc1ccc(C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C16H18N2O2/c1-2-11-20-15-5-3-14(4-6-15)16(19)18-12-13-7-9-17-10-8-13/h3-10H,2,11-12H2,1H3,(H,18,19)
InChIKeyZNAOPICVQKSDLQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.80
Rot. Bonds6

About 4-propoxy-N-(pyridin-4-ylmethyl)benzamide

4-propoxy-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 6459003) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-propoxy-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-propoxy-N-(pyridin-4-ylmethyl)benzamide
PubChem CID6459003
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-propoxy-N-(pyridin-4-ylmethyl)benzamide
SMILESCCCOc1ccc(C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C16H18N2O2/c1-2-11-20-15-5-3-14(4-6-15)16(19)18-12-13-7-9-17-10-8-13/h3-10H,2,11-12H2,1H3,(H,18,19)
InChIKeyZNAOPICVQKSDLQ-UHFFFAOYSA-N
XLogP2.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-[(4-propoxybenzoyl)amino]benzamide
CID 28639944
1-N-(2-methoxyethyl)-4-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109045098
4-(2-methoxyethoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121165392
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
bis(4-propoxybenzoic acid);4-(2-pyridin-4-ylethyl)pyridine
CID 139087732
2-ethoxy-N-[(4-propoxyphenyl)methyl]pyridine-4-carboxamide
CID 86967623
4-butoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35859104
4-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)benzamide
CID 24517908
4-propoxy-N-(thiophen-2-ylmethyl)benzamide
CID 4938538
4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136982
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018
N-butyl-4-propoxybenzamide
CID 17142951

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-propoxy-N-(pyridin-4-ylmethyl)benzamide (CID 6459003) is 4-propoxy-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-propoxy-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-propoxy-N-(pyridin-4-ylmethyl)benzamide is CCCOc1ccc(C(=O)NCc2ccncc2)cc1.
What is the InChIKey of 4-propoxy-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is ZNAOPICVQKSDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-11-20-15-5-3-14(4-6-15)16(19)18-12-13-7-9-17-10-8-13/h3-10H,2,11-12H2,1H3,(H,18,19).
What are the key properties of 4-propoxy-N-(pyridin-4-ylmethyl)benzamide?
4-propoxy-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 270.33 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 6459003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).