3-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide

C26H37N3O4 — CID 57390115

IUPAC3-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
SMILESCCOCCOc1cccc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)c1
InChIInChI=1S/C26H37N3O4/c1-3-32-19-20-33-23-10-8-9-22(21-23)26(30)27-13-6-7-14-28-15-17-29(18-16-28)24-11-4-5-12-25(24)31-2/h4-5,8-12,21H,3,6-7,13-20H2,1-2H3,(H,27,30)
InChIKeyGJEUOGHJJUBVHW-UHFFFAOYSA-N
MW455.60 g/mol
LogP3.44
Rot. Bonds13

About 3-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide

3-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide (PubChem CID 57390115) has the molecular formula C26H37N3O4 and a molecular weight of 455.60 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
PubChem CID57390115
Molecular FormulaC26H37N3O4
Molecular Weight455.60 g/mol
Exact Mass455.28
IUPAC Name3-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
SMILESCCOCCOc1cccc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)c1
InChIInChI=1S/C26H37N3O4/c1-3-32-19-20-33-23-10-8-9-22(21-23)26(30)27-13-6-7-14-28-15-17-29(18-16-28)24-11-4-5-12-25(24)31-2/h4-5,8-12,21H,3,6-7,13-20H2,1-2H3,(H,27,30)
InChIKeyGJEUOGHJJUBVHW-UHFFFAOYSA-N
XLogP3.44
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
The IUPAC name of 3-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide (CID 57390115) is 3-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide.
What is the SMILES notation for 3-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
The canonical SMILES for 3-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide is CCOCCOc1cccc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)c1.
What is the InChIKey of 3-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
The InChIKey is GJEUOGHJJUBVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O4/c1-3-32-19-20-33-23-10-8-9-22(21-23)26(30)27-13-6-7-14-28-15-17-29(18-16-28)24-11-4-5-12-25(24)31-2/h4-5,8-12,21H,3,6-7,13-20H2,1-2H3,(H,27,30).
What are the key properties of 3-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
3-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide has a molecular weight of 455.60 g/mol, XLogP of 3.44, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide is sourced from PubChem (CID 57390115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).