2-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide

C24H32ClN3O2 — CID 43843608

IUPAC2-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
SMILESCCCCOc1ccccc1C(=O)NCC(c1ccc(Cl)cc1)N1CCN(C)CC1
InChIInChI=1S/C24H32ClN3O2/c1-3-4-17-30-23-8-6-5-7-21(23)24(29)26-18-22(19-9-11-20(25)12-10-19)28-15-13-27(2)14-16-28/h5-12,22H,3-4,13-18H2,1-2H3,(H,26,29)
InChIKeyYFWVWAOJGSJQIW-UHFFFAOYSA-N
MW429.99 g/mol
LogP4.24
Rot. Bonds9

About 2-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide

2-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide (PubChem CID 43843608) has the molecular formula C24H32ClN3O2 and a molecular weight of 429.99 g/mol. Its IUPAC name is 2-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
PubChem CID43843608
Molecular FormulaC24H32ClN3O2
Molecular Weight429.99 g/mol
Exact Mass429.22
IUPAC Name2-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
SMILESCCCCOc1ccccc1C(=O)NCC(c1ccc(Cl)cc1)N1CCN(C)CC1
InChIInChI=1S/C24H32ClN3O2/c1-3-4-17-30-23-8-6-5-7-21(23)24(29)26-18-22(19-9-11-20(25)12-10-19)28-15-13-27(2)14-16-28/h5-12,22H,3-4,13-18H2,1-2H3,(H,26,29)
InChIKeyYFWVWAOJGSJQIW-UHFFFAOYSA-N
XLogP4.24
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.99
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]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-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-methoxybenzamide;hydrochloride
CID 52985116
2-butoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35129295
3-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 43843601
2-butoxy-N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 35579281
N-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-2-propoxybenzamide
CID 35577875
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide;hydrochloride
CID 52984933
2-butoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 35181744
N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-propoxybenzamide
CID 35573533
2-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 45155494
N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide
CID 35180484
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide
CID 17012250
5-chloro-2-methoxy-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 16810755

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 2-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide (CID 43843608) is 2-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 2-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide is CCCCOc1ccccc1C(=O)NCC(c1ccc(Cl)cc1)N1CCN(C)CC1.
What is the InChIKey of 2-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is YFWVWAOJGSJQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O2/c1-3-4-17-30-23-8-6-5-7-21(23)24(29)26-18-22(19-9-11-20(25)12-10-19)28-15-13-27(2)14-16-28/h5-12,22H,3-4,13-18H2,1-2H3,(H,26,29).
What are the key properties of 2-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide?
2-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 429.99 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 43843608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).