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

C36H40N2O5 — CID 118705880

IUPAC4-methoxy-3-(3-methoxyphenyl)-N-[2-[2-(3-methoxyphenyl)-4-(1-methylpiperidin-4-yl)oxyphenyl]ethyl]benzamide
SMILESCOc1cccc(-c2cc(OC3CCN(C)CC3)ccc2CCNC(=O)c2ccc(OC)c(-c3cccc(OC)c3)c2)c1
InChIInChI=1S/C36H40N2O5/c1-38-19-16-29(17-20-38)43-32-13-11-25(33(24-32)26-7-5-9-30(21-26)40-2)15-18-37-36(39)28-12-14-35(42-4)34(23-28)27-8-6-10-31(22-27)41-3/h5-14,21-24,29H,15-20H2,1-4H3,(H,37,39)
InChIKeyYZRYAZUQVCMDRS-UHFFFAOYSA-N
MW580.73 g/mol
LogP6.49
Rot. Bonds11

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

4-methoxy-3-(3-methoxyphenyl)-N-[2-[2-(3-methoxyphenyl)-4-(1-methylpiperidin-4-yl)oxyphenyl]ethyl]benzamide (PubChem CID 118705880) has the molecular formula C36H40N2O5 and a molecular weight of 580.73 g/mol. Its IUPAC name is 4-methoxy-3-(3-methoxyphenyl)-N-[2-[2-(3-methoxyphenyl)-4-(1-methylpiperidin-4-yl)oxyphenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-(3-methoxyphenyl)-N-[2-[2-(3-methoxyphenyl)-4-(1-methylpiperidin-4-yl)oxyphenyl]ethyl]benzamide
PubChem CID118705880
Molecular FormulaC36H40N2O5
Molecular Weight580.73 g/mol
Exact Mass580.29
IUPAC Name4-methoxy-3-(3-methoxyphenyl)-N-[2-[2-(3-methoxyphenyl)-4-(1-methylpiperidin-4-yl)oxyphenyl]ethyl]benzamide
SMILESCOc1cccc(-c2cc(OC3CCN(C)CC3)ccc2CCNC(=O)c2ccc(OC)c(-c3cccc(OC)c3)c2)c1
InChIInChI=1S/C36H40N2O5/c1-38-19-16-29(17-20-38)43-32-13-11-25(33(24-32)26-7-5-9-30(21-26)40-2)15-18-37-36(39)28-12-14-35(42-4)34(23-28)27-8-6-10-31(22-27)41-3/h5-14,21-24,29H,15-20H2,1-4H3,(H,37,39)
InChIKeyYZRYAZUQVCMDRS-UHFFFAOYSA-N
XLogP6.49
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.73
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(3-methoxyphenyl)-N-[2-[2-(3-methoxyphenyl)-4-(1-methylpiperidin-4-yl)oxyphenyl]ethyl]benzamide?
The IUPAC name of 4-methoxy-3-(3-methoxyphenyl)-N-[2-[2-(3-methoxyphenyl)-4-(1-methylpiperidin-4-yl)oxyphenyl]ethyl]benzamide (CID 118705880) is 4-methoxy-3-(3-methoxyphenyl)-N-[2-[2-(3-methoxyphenyl)-4-(1-methylpiperidin-4-yl)oxyphenyl]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-3-(3-methoxyphenyl)-N-[2-[2-(3-methoxyphenyl)-4-(1-methylpiperidin-4-yl)oxyphenyl]ethyl]benzamide?
The canonical SMILES for 4-methoxy-3-(3-methoxyphenyl)-N-[2-[2-(3-methoxyphenyl)-4-(1-methylpiperidin-4-yl)oxyphenyl]ethyl]benzamide is COc1cccc(-c2cc(OC3CCN(C)CC3)ccc2CCNC(=O)c2ccc(OC)c(-c3cccc(OC)c3)c2)c1.
What is the InChIKey of 4-methoxy-3-(3-methoxyphenyl)-N-[2-[2-(3-methoxyphenyl)-4-(1-methylpiperidin-4-yl)oxyphenyl]ethyl]benzamide?
The InChIKey is YZRYAZUQVCMDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N2O5/c1-38-19-16-29(17-20-38)43-32-13-11-25(33(24-32)26-7-5-9-30(21-26)40-2)15-18-37-36(39)28-12-14-35(42-4)34(23-28)27-8-6-10-31(22-27)41-3/h5-14,21-24,29H,15-20H2,1-4H3,(H,37,39).
What are the key properties of 4-methoxy-3-(3-methoxyphenyl)-N-[2-[2-(3-methoxyphenyl)-4-(1-methylpiperidin-4-yl)oxyphenyl]ethyl]benzamide?
4-methoxy-3-(3-methoxyphenyl)-N-[2-[2-(3-methoxyphenyl)-4-(1-methylpiperidin-4-yl)oxyphenyl]ethyl]benzamide has a molecular weight of 580.73 g/mol, XLogP of 6.49, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(3-methoxyphenyl)-N-[2-[2-(3-methoxyphenyl)-4-(1-methylpiperidin-4-yl)oxyphenyl]ethyl]benzamide is sourced from PubChem (CID 118705880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).