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

C30H37N3O3 — CID 45484368

IUPACN-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methylphenyl)benzamide
SMILESCOc1ccc(N2CCN(CCCCNC(=O)c3ccc(-c4ccccc4C)cc3)CC2)c(OC)c1
InChIInChI=1S/C30H37N3O3/c1-23-8-4-5-9-27(23)24-10-12-25(13-11-24)30(34)31-16-6-7-17-32-18-20-33(21-19-32)28-15-14-26(35-2)22-29(28)36-3/h4-5,8-15,22H,6-7,16-21H2,1-3H3,(H,31,34)
InChIKeyQZLKOSYCBDWGRT-UHFFFAOYSA-N
MW487.64 g/mol
LogP5.01
Rot. Bonds10

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

N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methylphenyl)benzamide (PubChem CID 45484368) has the molecular formula C30H37N3O3 and a molecular weight of 487.64 g/mol. Its IUPAC name is N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methylphenyl)benzamide.

Molecular Properties

Compound NameN-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methylphenyl)benzamide
PubChem CID45484368
Molecular FormulaC30H37N3O3
Molecular Weight487.64 g/mol
Exact Mass487.28
IUPAC NameN-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methylphenyl)benzamide
SMILESCOc1ccc(N2CCN(CCCCNC(=O)c3ccc(-c4ccccc4C)cc3)CC2)c(OC)c1
InChIInChI=1S/C30H37N3O3/c1-23-8-4-5-9-27(23)24-10-12-25(13-11-24)30(34)31-16-6-7-17-32-18-20-33(21-19-32)28-15-14-26(35-2)22-29(28)36-3/h4-5,8-15,22H,6-7,16-21H2,1-3H3,(H,31,34)
InChIKeyQZLKOSYCBDWGRT-UHFFFAOYSA-N
XLogP5.01
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.64
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methylphenyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-6-phenylpyridine-3-carboxamide
CID 59840227
4-tert-butyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 10971923
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-phenylbenzamide
CID 41277718
N-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]naphthalene-2-carboxamide
CID 44532093
3,4-dichloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 15050919
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-9H-fluorene-2-carboxamide
CID 15463155
4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 51354851
2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266860
N'-(2,4-dimethoxyphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42389638
N-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-2-carboxamide
CID 11270403
N-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide
CID 175293067
N-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]-4-(trifluoromethyl)benzamide
CID 44532094

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methylphenyl)benzamide?
The IUPAC name of N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methylphenyl)benzamide (CID 45484368) is N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methylphenyl)benzamide.
What is the SMILES notation for N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methylphenyl)benzamide?
The canonical SMILES for N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methylphenyl)benzamide is COc1ccc(N2CCN(CCCCNC(=O)c3ccc(-c4ccccc4C)cc3)CC2)c(OC)c1.
What is the InChIKey of N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methylphenyl)benzamide?
The InChIKey is QZLKOSYCBDWGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O3/c1-23-8-4-5-9-27(23)24-10-12-25(13-11-24)30(34)31-16-6-7-17-32-18-20-33(21-19-32)28-15-14-26(35-2)22-29(28)36-3/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-methylphenyl)benzamide?
N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methylphenyl)benzamide has a molecular weight of 487.64 g/mol, XLogP of 5.01, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methylphenyl)benzamide is sourced from PubChem (CID 45484368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).