3,4-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide

C30H30N2O3 — CID 14570094

IUPAC3,4-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H30N2O3/c1-34-26-13-8-23(9-14-26)28-17-12-25(20-29(28)24-10-15-27(35-2)16-11-24)30(33)32-19-4-3-6-22-7-5-18-31-21-22/h5,7-18,20-21H,3-4,6,19H2,1-2H3,(H,32,33)
InChIKeyUTLQYAIDTHXMIM-UHFFFAOYSA-N
MW466.58 g/mol
LogP6.19
Rot. Bonds10

About 3,4-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide

3,4-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide (PubChem CID 14570094) has the molecular formula C30H30N2O3 and a molecular weight of 466.58 g/mol. Its IUPAC name is 3,4-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide.

Molecular Properties

Compound Name3,4-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide
PubChem CID14570094
Molecular FormulaC30H30N2O3
Molecular Weight466.58 g/mol
Exact Mass466.23
IUPAC Name3,4-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H30N2O3/c1-34-26-13-8-23(9-14-26)28-17-12-25(20-29(28)24-10-15-27(35-2)16-11-24)30(33)32-19-4-3-6-22-7-5-18-31-21-22/h5,7-18,20-21H,3-4,6,19H2,1-2H3,(H,32,33)
InChIKeyUTLQYAIDTHXMIM-UHFFFAOYSA-N
XLogP6.19
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3,4-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide?
The IUPAC name of 3,4-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide (CID 14570094) is 3,4-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide.
What is the SMILES notation for 3,4-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide?
The canonical SMILES for 3,4-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide is COc1ccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 3,4-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide?
The InChIKey is UTLQYAIDTHXMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O3/c1-34-26-13-8-23(9-14-26)28-17-12-25(20-29(28)24-10-15-27(35-2)16-11-24)30(33)32-19-4-3-6-22-7-5-18-31-21-22/h5,7-18,20-21H,3-4,6,19H2,1-2H3,(H,32,33).
What are the key properties of 3,4-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide?
3,4-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide has a molecular weight of 466.58 g/mol, XLogP of 6.19, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide is sourced from PubChem (CID 14570094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).