4-butoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide

C18H22N2O2 — CID 27232734

IUPAC4-butoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide
SMILESCCCCOc1ccc(C(=O)N[C@H](C)c2ccncc2)cc1
InChIInChI=1S/C18H22N2O2/c1-3-4-13-22-17-7-5-16(6-8-17)18(21)20-14(2)15-9-11-19-12-10-15/h5-12,14H,3-4,13H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyYOZJVDPVGBMUBS-CQSZACIVSA-N
MW298.39 g/mol
LogP3.75
Rot. Bonds7

About 4-butoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide

4-butoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide (PubChem CID 27232734) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-butoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide
PubChem CID27232734
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-butoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide
SMILESCCCCOc1ccc(C(=O)N[C@H](C)c2ccncc2)cc1
InChIInChI=1S/C18H22N2O2/c1-3-4-13-22-17-7-5-16(6-8-17)18(21)20-14(2)15-9-11-19-12-10-15/h5-12,14H,3-4,13H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyYOZJVDPVGBMUBS-CQSZACIVSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-acetylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 34762946
4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide
CID 17330741
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
2-[(4-butoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 8714570
4-butoxy-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 46530040
3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40637184
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
(1S)-N-[(4-butoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 28644901
4-benzoyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40513318
1-[1-(4-butoxyphenyl)ethyl]-3-hydroxyurea
CID 19804452
N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 6466147
2-(4-butoxyphenyl)-2-(pyridine-4-carbonylhydrazinylidene)acetic acid
CID 4613458

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide?
The IUPAC name of 4-butoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide (CID 27232734) is 4-butoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide is CCCCOc1ccc(C(=O)N[C@H](C)c2ccncc2)cc1.
What is the InChIKey of 4-butoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide?
The InChIKey is YOZJVDPVGBMUBS-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-4-13-22-17-7-5-16(6-8-17)18(21)20-14(2)15-9-11-19-12-10-15/h5-12,14H,3-4,13H2,1-2H3,(H,20,21)/t14-/m1/s1.
What are the key properties of 4-butoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide?
4-butoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide has a molecular weight of 298.39 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide is sourced from PubChem (CID 27232734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).