4-[(4-chlorobenzoyl)amino]-N-[4-[4-[4-[2-(dimethylamino)ethoxy]-2,5-dimethylphenyl]piperidin-1-yl]butyl]benzamide

C35H45ClN4O3 — CID 44532351

IUPAC4-[(4-chlorobenzoyl)amino]-N-[4-[4-[4-[2-(dimethylamino)ethoxy]-2,5-dimethylphenyl]piperidin-1-yl]butyl]benzamide
SMILESCc1cc(C2CCN(CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(C)cc1OCCN(C)C
InChIInChI=1S/C35H45ClN4O3/c1-25-24-33(43-22-21-39(3)4)26(2)23-32(25)27-15-19-40(20-16-27)18-6-5-17-37-34(41)28-9-13-31(14-10-28)38-35(42)29-7-11-30(36)12-8-29/h7-14,23-24,27H,5-6,15-22H2,1-4H3,(H,37,41)(H,38,42)
InChIKeyZBXXVLSXOFZTEW-UHFFFAOYSA-N
MW605.22 g/mol
LogP6.54
Rot. Bonds13

About 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[4-[2-(dimethylamino)ethoxy]-2,5-dimethylphenyl]piperidin-1-yl]butyl]benzamide

4-[(4-chlorobenzoyl)amino]-N-[4-[4-[4-[2-(dimethylamino)ethoxy]-2,5-dimethylphenyl]piperidin-1-yl]butyl]benzamide (PubChem CID 44532351) has the molecular formula C35H45ClN4O3 and a molecular weight of 605.22 g/mol. Its IUPAC name is 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[4-[2-(dimethylamino)ethoxy]-2,5-dimethylphenyl]piperidin-1-yl]butyl]benzamide.

Molecular Properties

Compound Name4-[(4-chlorobenzoyl)amino]-N-[4-[4-[4-[2-(dimethylamino)ethoxy]-2,5-dimethylphenyl]piperidin-1-yl]butyl]benzamide
PubChem CID44532351
Molecular FormulaC35H45ClN4O3
Molecular Weight605.22 g/mol
Exact Mass604.32
IUPAC Name4-[(4-chlorobenzoyl)amino]-N-[4-[4-[4-[2-(dimethylamino)ethoxy]-2,5-dimethylphenyl]piperidin-1-yl]butyl]benzamide
SMILESCc1cc(C2CCN(CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(C)cc1OCCN(C)C
InChIInChI=1S/C35H45ClN4O3/c1-25-24-33(43-22-21-39(3)4)26(2)23-32(25)27-15-19-40(20-16-27)18-6-5-17-37-34(41)28-9-13-31(14-10-28)38-35(42)29-7-11-30(36)12-8-29/h7-14,23-24,27H,5-6,15-22H2,1-4H3,(H,37,41)(H,38,42)
InChIKeyZBXXVLSXOFZTEW-UHFFFAOYSA-N
XLogP6.54
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.22
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[4-[2-(dimethylamino)ethoxy]-2,5-dimethylphenyl]piperidin-1-yl]butyl]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 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[4-[2-(dimethylamino)ethoxy]-2,5-dimethylphenyl]piperidin-1-yl]butyl]benzamide?
The IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[4-[2-(dimethylamino)ethoxy]-2,5-dimethylphenyl]piperidin-1-yl]butyl]benzamide (CID 44532351) is 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[4-[2-(dimethylamino)ethoxy]-2,5-dimethylphenyl]piperidin-1-yl]butyl]benzamide.
What is the SMILES notation for 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[4-[2-(dimethylamino)ethoxy]-2,5-dimethylphenyl]piperidin-1-yl]butyl]benzamide?
The canonical SMILES for 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[4-[2-(dimethylamino)ethoxy]-2,5-dimethylphenyl]piperidin-1-yl]butyl]benzamide is Cc1cc(C2CCN(CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(C)cc1OCCN(C)C.
What is the InChIKey of 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[4-[2-(dimethylamino)ethoxy]-2,5-dimethylphenyl]piperidin-1-yl]butyl]benzamide?
The InChIKey is ZBXXVLSXOFZTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45ClN4O3/c1-25-24-33(43-22-21-39(3)4)26(2)23-32(25)27-15-19-40(20-16-27)18-6-5-17-37-34(41)28-9-13-31(14-10-28)38-35(42)29-7-11-30(36)12-8-29/h7-14,23-24,27H,5-6,15-22H2,1-4H3,(H,37,41)(H,38,42).
What are the key properties of 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[4-[2-(dimethylamino)ethoxy]-2,5-dimethylphenyl]piperidin-1-yl]butyl]benzamide?
4-[(4-chlorobenzoyl)amino]-N-[4-[4-[4-[2-(dimethylamino)ethoxy]-2,5-dimethylphenyl]piperidin-1-yl]butyl]benzamide has a molecular weight of 605.22 g/mol, XLogP of 6.54, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[4-[2-(dimethylamino)ethoxy]-2,5-dimethylphenyl]piperidin-1-yl]butyl]benzamide is sourced from PubChem (CID 44532351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).