4-methoxy-N-[[3-[2-(4-methylphenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide

C30H30N2O3 — CID 135187683

IUPAC4-methoxy-N-[[3-[2-(4-methylphenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccncc2)Cc2cccc(OCCc3ccc(C)cc3)c2)cc1
InChIInChI=1S/C30H30N2O3/c1-23-6-8-24(9-7-23)16-19-35-29-5-3-4-26(20-29)22-32(21-25-14-17-31-18-15-25)30(33)27-10-12-28(34-2)13-11-27/h3-15,17-18,20H,16,19,21-22H2,1-2H3
InChIKeyVSIGYUWFJZZCKN-UHFFFAOYSA-N
MW466.58 g/mol
LogP5.86
Rot. Bonds10

About 4-methoxy-N-[[3-[2-(4-methylphenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide

4-methoxy-N-[[3-[2-(4-methylphenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 135187683) has the molecular formula C30H30N2O3 and a molecular weight of 466.58 g/mol. Its IUPAC name is 4-methoxy-N-[[3-[2-(4-methylphenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-[[3-[2-(4-methylphenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID135187683
Molecular FormulaC30H30N2O3
Molecular Weight466.58 g/mol
Exact Mass466.23
IUPAC Name4-methoxy-N-[[3-[2-(4-methylphenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccncc2)Cc2cccc(OCCc3ccc(C)cc3)c2)cc1
InChIInChI=1S/C30H30N2O3/c1-23-6-8-24(9-7-23)16-19-35-29-5-3-4-26(20-29)22-32(21-25-14-17-31-18-15-25)30(33)27-10-12-28(34-2)13-11-27/h3-15,17-18,20H,16,19,21-22H2,1-2H3
InChIKeyVSIGYUWFJZZCKN-UHFFFAOYSA-N
XLogP5.86
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[3-[2-(4-methylphenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-methoxy-N-[[3-[2-(4-methylphenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide (CID 135187683) is 4-methoxy-N-[[3-[2-(4-methylphenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-methoxy-N-[[3-[2-(4-methylphenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-methoxy-N-[[3-[2-(4-methylphenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide is COc1ccc(C(=O)N(Cc2ccncc2)Cc2cccc(OCCc3ccc(C)cc3)c2)cc1.
What is the InChIKey of 4-methoxy-N-[[3-[2-(4-methylphenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is VSIGYUWFJZZCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O3/c1-23-6-8-24(9-7-23)16-19-35-29-5-3-4-26(20-29)22-32(21-25-14-17-31-18-15-25)30(33)27-10-12-28(34-2)13-11-27/h3-15,17-18,20H,16,19,21-22H2,1-2H3.
What are the key properties of 4-methoxy-N-[[3-[2-(4-methylphenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide?
4-methoxy-N-[[3-[2-(4-methylphenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 466.58 g/mol, XLogP of 5.86, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[3-[2-(4-methylphenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 135187683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).