N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methoxyphenyl)benzamide

C30H37N3O4 — CID 45484378

IUPACN-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methoxyphenyl)benzamide
SMILESCOc1ccc(N2CCN(CCCCNC(=O)c3ccc(-c4ccccc4OC)cc3)CC2)c(OC)c1
InChIInChI=1S/C30H37N3O4/c1-35-25-14-15-27(29(22-25)37-3)33-20-18-32(19-21-33)17-7-6-16-31-30(34)24-12-10-23(11-13-24)26-8-4-5-9-28(26)36-2/h4-5,8-15,22H,6-7,16-21H2,1-3H3,(H,31,34)
InChIKeyBJYPPVFXTPZIDK-UHFFFAOYSA-N
MW503.64 g/mol
LogP4.71
Rot. Bonds11

About N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methoxyphenyl)benzamide

N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methoxyphenyl)benzamide (PubChem CID 45484378) has the molecular formula C30H37N3O4 and a molecular weight of 503.64 g/mol. Its IUPAC name is N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methoxyphenyl)benzamide
PubChem CID45484378
Molecular FormulaC30H37N3O4
Molecular Weight503.64 g/mol
Exact Mass503.28
IUPAC NameN-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methoxyphenyl)benzamide
SMILESCOc1ccc(N2CCN(CCCCNC(=O)c3ccc(-c4ccccc4OC)cc3)CC2)c(OC)c1
InChIInChI=1S/C30H37N3O4/c1-35-25-14-15-27(29(22-25)37-3)33-20-18-32(19-21-33)17-7-6-16-31-30(34)24-12-10-23(11-13-24)26-8-4-5-9-28(26)36-2/h4-5,8-15,22H,6-7,16-21H2,1-3H3,(H,31,34)
InChIKeyBJYPPVFXTPZIDK-UHFFFAOYSA-N
XLogP4.71
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.64
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methoxyphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methoxyphenyl)benzamide?
The IUPAC name of N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methoxyphenyl)benzamide (CID 45484378) is N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methoxyphenyl)benzamide.
What is the SMILES notation for N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methoxyphenyl)benzamide?
The canonical SMILES for N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methoxyphenyl)benzamide is COc1ccc(N2CCN(CCCCNC(=O)c3ccc(-c4ccccc4OC)cc3)CC2)c(OC)c1.
What is the InChIKey of N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methoxyphenyl)benzamide?
The InChIKey is BJYPPVFXTPZIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O4/c1-35-25-14-15-27(29(22-25)37-3)33-20-18-32(19-21-33)17-7-6-16-31-30(34)24-12-10-23(11-13-24)26-8-4-5-9-28(26)36-2/h4-5,8-15,22H,6-7,16-21H2,1-3H3,(H,31,34).
What are the key properties of N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methoxyphenyl)benzamide?
N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methoxyphenyl)benzamide has a molecular weight of 503.64 g/mol, XLogP of 4.71, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 45484378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).