4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-phenylphenyl]ethyl]benzamide

C35H38N2O4 — CID 118705881

IUPAC4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-phenylphenyl]ethyl]benzamide
SMILESCOc1cccc(-c2cc(C(=O)NCCc3ccc(OC4CCN(C)CC4)cc3-c3ccccc3)ccc2OC)c1
InChIInChI=1S/C35H38N2O4/c1-37-20-17-29(18-21-37)41-31-14-12-26(32(24-31)25-8-5-4-6-9-25)16-19-36-35(38)28-13-15-34(40-3)33(23-28)27-10-7-11-30(22-27)39-2/h4-15,22-24,29H,16-21H2,1-3H3,(H,36,38)
InChIKeySWHRRIABQQCXDH-UHFFFAOYSA-N
MW550.70 g/mol
LogP6.48
Rot. Bonds10

About 4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-phenylphenyl]ethyl]benzamide

4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-phenylphenyl]ethyl]benzamide (PubChem CID 118705881) has the molecular formula C35H38N2O4 and a molecular weight of 550.70 g/mol. Its IUPAC name is 4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-phenylphenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-phenylphenyl]ethyl]benzamide
PubChem CID118705881
Molecular FormulaC35H38N2O4
Molecular Weight550.70 g/mol
Exact Mass550.28
IUPAC Name4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-phenylphenyl]ethyl]benzamide
SMILESCOc1cccc(-c2cc(C(=O)NCCc3ccc(OC4CCN(C)CC4)cc3-c3ccccc3)ccc2OC)c1
InChIInChI=1S/C35H38N2O4/c1-37-20-17-29(18-21-37)41-31-14-12-26(32(24-31)25-8-5-4-6-9-25)16-19-36-35(38)28-13-15-34(40-3)33(23-28)27-10-7-11-30(22-27)39-2/h4-15,22-24,29H,16-21H2,1-3H3,(H,36,38)
InChIKeySWHRRIABQQCXDH-UHFFFAOYSA-N
XLogP6.48
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.70
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-phenylphenyl]ethyl]benzamide?
The IUPAC name of 4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-phenylphenyl]ethyl]benzamide (CID 118705881) is 4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-phenylphenyl]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-phenylphenyl]ethyl]benzamide?
The canonical SMILES for 4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-phenylphenyl]ethyl]benzamide is COc1cccc(-c2cc(C(=O)NCCc3ccc(OC4CCN(C)CC4)cc3-c3ccccc3)ccc2OC)c1.
What is the InChIKey of 4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-phenylphenyl]ethyl]benzamide?
The InChIKey is SWHRRIABQQCXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N2O4/c1-37-20-17-29(18-21-37)41-31-14-12-26(32(24-31)25-8-5-4-6-9-25)16-19-36-35(38)28-13-15-34(40-3)33(23-28)27-10-7-11-30(22-27)39-2/h4-15,22-24,29H,16-21H2,1-3H3,(H,36,38).
What are the key properties of 4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-phenylphenyl]ethyl]benzamide?
4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-phenylphenyl]ethyl]benzamide has a molecular weight of 550.70 g/mol, XLogP of 6.48, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-phenylphenyl]ethyl]benzamide is sourced from PubChem (CID 118705881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).