4-(3-hydroxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide

C22H22N2O2 — CID 14570085

IUPAC4-(3-hydroxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide
SMILESO=C(NCCCCc1cccnc1)c1ccc(-c2cccc(O)c2)cc1
InChIInChI=1S/C22H22N2O2/c25-21-8-3-7-20(15-21)18-9-11-19(12-10-18)22(26)24-14-2-1-5-17-6-4-13-23-16-17/h3-4,6-13,15-16,25H,1-2,5,14H2,(H,24,26)
InChIKeyKFCMPLMZHWYLOQ-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.21
Rot. Bonds7

About 4-(3-hydroxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide

4-(3-hydroxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide (PubChem CID 14570085) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide
PubChem CID14570085
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name4-(3-hydroxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide
SMILESO=C(NCCCCc1cccnc1)c1ccc(-c2cccc(O)c2)cc1
InChIInChI=1S/C22H22N2O2/c25-21-8-3-7-20(15-21)18-9-11-19(12-10-18)22(26)24-14-2-1-5-17-6-4-13-23-16-17/h3-4,6-13,15-16,25H,1-2,5,14H2,(H,24,26)
InChIKeyKFCMPLMZHWYLOQ-UHFFFAOYSA-N
XLogP4.21
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide?
The IUPAC name of 4-(3-hydroxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide (CID 14570085) is 4-(3-hydroxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide.
What is the SMILES notation for 4-(3-hydroxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide?
The canonical SMILES for 4-(3-hydroxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide is O=C(NCCCCc1cccnc1)c1ccc(-c2cccc(O)c2)cc1.
What is the InChIKey of 4-(3-hydroxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide?
The InChIKey is KFCMPLMZHWYLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c25-21-8-3-7-20(15-21)18-9-11-19(12-10-18)22(26)24-14-2-1-5-17-6-4-13-23-16-17/h3-4,6-13,15-16,25H,1-2,5,14H2,(H,24,26).
What are the key properties of 4-(3-hydroxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide?
4-(3-hydroxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide has a molecular weight of 346.43 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide is sourced from PubChem (CID 14570085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).