3-(3-acetamidophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide

C34H35N3O4 — CID 118063565

IUPAC3-(3-acetamidophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3ccc(OC4CCN(C)CC4)cc3)cc2)cc1-c1cccc(NC(C)=O)c1
InChIInChI=1S/C34H35N3O4/c1-23(38)35-29-6-4-5-26(21-29)32-22-27(11-16-33(32)40-3)34(39)36-28-12-7-24(8-13-28)25-9-14-30(15-10-25)41-31-17-19-37(2)20-18-31/h4-16,21-22,31H,17-20H2,1-3H3,(H,35,38)(H,36,39)
InChIKeyBJIXTKLNJWDYPK-UHFFFAOYSA-N
MW549.67 g/mol
LogP6.71
Rot. Bonds8

About 3-(3-acetamidophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide

3-(3-acetamidophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide (PubChem CID 118063565) has the molecular formula C34H35N3O4 and a molecular weight of 549.67 g/mol. Its IUPAC name is 3-(3-acetamidophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide.

Molecular Properties

Compound Name3-(3-acetamidophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
PubChem CID118063565
Molecular FormulaC34H35N3O4
Molecular Weight549.67 g/mol
Exact Mass549.26
IUPAC Name3-(3-acetamidophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3ccc(OC4CCN(C)CC4)cc3)cc2)cc1-c1cccc(NC(C)=O)c1
InChIInChI=1S/C34H35N3O4/c1-23(38)35-29-6-4-5-26(21-29)32-22-27(11-16-33(32)40-3)34(39)36-28-12-7-24(8-13-28)25-9-14-30(15-10-25)41-31-17-19-37(2)20-18-31/h4-16,21-22,31H,17-20H2,1-3H3,(H,35,38)(H,36,39)
InChIKeyBJIXTKLNJWDYPK-UHFFFAOYSA-N
XLogP6.71
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.67
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-acetamidophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The IUPAC name of 3-(3-acetamidophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide (CID 118063565) is 3-(3-acetamidophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide.
What is the SMILES notation for 3-(3-acetamidophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The canonical SMILES for 3-(3-acetamidophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(-c3ccc(OC4CCN(C)CC4)cc3)cc2)cc1-c1cccc(NC(C)=O)c1.
What is the InChIKey of 3-(3-acetamidophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The InChIKey is BJIXTKLNJWDYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N3O4/c1-23(38)35-29-6-4-5-26(21-29)32-22-27(11-16-33(32)40-3)34(39)36-28-12-7-24(8-13-28)25-9-14-30(15-10-25)41-31-17-19-37(2)20-18-31/h4-16,21-22,31H,17-20H2,1-3H3,(H,35,38)(H,36,39).
What are the key properties of 3-(3-acetamidophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
3-(3-acetamidophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide has a molecular weight of 549.67 g/mol, XLogP of 6.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetamidophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide is sourced from PubChem (CID 118063565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).