N-[2-methoxy-4-[3-methoxy-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]phenyl]-2-(4-methylpiperidin-1-yl)acetamide

C30H42N4O4 — CID 2960704

IUPACN-[2-methoxy-4-[3-methoxy-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]phenyl]-2-(4-methylpiperidin-1-yl)acetamide
SMILESCOc1cc(-c2ccc(NC(=O)CN3CCC(C)CC3)c(OC)c2)ccc1NC(=O)CN1CCC(C)CC1
InChIInChI=1S/C30H42N4O4/c1-21-9-13-33(14-10-21)19-29(35)31-25-7-5-23(17-27(25)37-3)24-6-8-26(28(18-24)38-4)32-30(36)20-34-15-11-22(2)12-16-34/h5-8,17-18,21-22H,9-16,19-20H2,1-4H3,(H,31,35)(H,32,36)
InChIKeyIFTVHBUALUVCIO-UHFFFAOYSA-N
MW522.69 g/mol
LogP4.71
Rot. Bonds9

About N-[2-methoxy-4-[3-methoxy-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]phenyl]-2-(4-methylpiperidin-1-yl)acetamide

N-[2-methoxy-4-[3-methoxy-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]phenyl]-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 2960704) has the molecular formula C30H42N4O4 and a molecular weight of 522.69 g/mol. Its IUPAC name is N-[2-methoxy-4-[3-methoxy-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]phenyl]-2-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[3-methoxy-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]phenyl]-2-(4-methylpiperidin-1-yl)acetamide
PubChem CID2960704
Molecular FormulaC30H42N4O4
Molecular Weight522.69 g/mol
Exact Mass522.32
IUPAC NameN-[2-methoxy-4-[3-methoxy-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]phenyl]-2-(4-methylpiperidin-1-yl)acetamide
SMILESCOc1cc(-c2ccc(NC(=O)CN3CCC(C)CC3)c(OC)c2)ccc1NC(=O)CN1CCC(C)CC1
InChIInChI=1S/C30H42N4O4/c1-21-9-13-33(14-10-21)19-29(35)31-25-7-5-23(17-27(25)37-3)24-6-8-26(28(18-24)38-4)32-30(36)20-34-15-11-22(2)12-16-34/h5-8,17-18,21-22H,9-16,19-20H2,1-4H3,(H,31,35)(H,32,36)
InChIKeyIFTVHBUALUVCIO-UHFFFAOYSA-N
XLogP4.71
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.69
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[3-methoxy-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]phenyl]-2-(4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-[2-methoxy-4-[3-methoxy-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]phenyl]-2-(4-methylpiperidin-1-yl)acetamide (CID 2960704) is N-[2-methoxy-4-[3-methoxy-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]phenyl]-2-(4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[2-methoxy-4-[3-methoxy-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]phenyl]-2-(4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[2-methoxy-4-[3-methoxy-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]phenyl]-2-(4-methylpiperidin-1-yl)acetamide is COc1cc(-c2ccc(NC(=O)CN3CCC(C)CC3)c(OC)c2)ccc1NC(=O)CN1CCC(C)CC1.
What is the InChIKey of N-[2-methoxy-4-[3-methoxy-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]phenyl]-2-(4-methylpiperidin-1-yl)acetamide?
The InChIKey is IFTVHBUALUVCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N4O4/c1-21-9-13-33(14-10-21)19-29(35)31-25-7-5-23(17-27(25)37-3)24-6-8-26(28(18-24)38-4)32-30(36)20-34-15-11-22(2)12-16-34/h5-8,17-18,21-22H,9-16,19-20H2,1-4H3,(H,31,35)(H,32,36).
What are the key properties of N-[2-methoxy-4-[3-methoxy-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]phenyl]-2-(4-methylpiperidin-1-yl)acetamide?
N-[2-methoxy-4-[3-methoxy-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]phenyl]-2-(4-methylpiperidin-1-yl)acetamide has a molecular weight of 522.69 g/mol, XLogP of 4.71, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[3-methoxy-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]phenyl]-2-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 2960704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).