2-[2-(2-methoxyphenyl)phenyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide

C30H37N3O3 — CID 72548353

IUPAC2-[2-(2-methoxyphenyl)phenyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide
SMILESCOc1ccccc1-c1ccccc1CC(=O)NCCCCN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C30H37N3O3/c1-35-28-15-7-5-13-26(28)25-12-4-3-11-24(25)23-30(34)31-17-9-10-18-32-19-21-33(22-20-32)27-14-6-8-16-29(27)36-2/h3-8,11-16H,9-10,17-23H2,1-2H3,(H,31,34)
InChIKeyBEAJZFMWMKEXNC-UHFFFAOYSA-N
MW487.64 g/mol
LogP4.63
Rot. Bonds11

About 2-[2-(2-methoxyphenyl)phenyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide

2-[2-(2-methoxyphenyl)phenyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide (PubChem CID 72548353) has the molecular formula C30H37N3O3 and a molecular weight of 487.64 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)phenyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)phenyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide
PubChem CID72548353
Molecular FormulaC30H37N3O3
Molecular Weight487.64 g/mol
Exact Mass487.28
IUPAC Name2-[2-(2-methoxyphenyl)phenyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide
SMILESCOc1ccccc1-c1ccccc1CC(=O)NCCCCN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C30H37N3O3/c1-35-28-15-7-5-13-26(28)25-12-4-3-11-24(25)23-30(34)31-17-9-10-18-32-19-21-33(22-20-32)27-14-6-8-16-29(27)36-2/h3-8,11-16H,9-10,17-23H2,1-2H3,(H,31,34)
InChIKeyBEAJZFMWMKEXNC-UHFFFAOYSA-N
XLogP4.63
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.64
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-phenylmethoxyphenyl)acetamide
CID 67015267
N-[(2-hydroxyphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide
CID 162643558
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9-oxofluorene-4-carboxamide
CID 10874342
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 10248783
2-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 11027407
4-tert-butyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 10971923
N-(2-acetamidoethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 36845006
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide
CID 10451105
3,4-dichloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 15050919
2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 42273217
3-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 10364070
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-9H-fluorene-2-carboxamide
CID 15463155

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)phenyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide?
The IUPAC name of 2-[2-(2-methoxyphenyl)phenyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide (CID 72548353) is 2-[2-(2-methoxyphenyl)phenyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)phenyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide?
The canonical SMILES for 2-[2-(2-methoxyphenyl)phenyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide is COc1ccccc1-c1ccccc1CC(=O)NCCCCN1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 2-[2-(2-methoxyphenyl)phenyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide?
The InChIKey is BEAJZFMWMKEXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O3/c1-35-28-15-7-5-13-26(28)25-12-4-3-11-24(25)23-30(34)31-17-9-10-18-32-19-21-33(22-20-32)27-14-6-8-16-29(27)36-2/h3-8,11-16H,9-10,17-23H2,1-2H3,(H,31,34).
What are the key properties of 2-[2-(2-methoxyphenyl)phenyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide?
2-[2-(2-methoxyphenyl)phenyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide has a molecular weight of 487.64 g/mol, XLogP of 4.63, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)phenyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide is sourced from PubChem (CID 72548353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).