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

C24H32ClN3O2 — CID 43843601

IUPAC3-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
SMILESCCCCOc1cccc(C(=O)NCC(c2ccc(Cl)cc2)N2CCN(C)CC2)c1
InChIInChI=1S/C24H32ClN3O2/c1-3-4-16-30-22-7-5-6-20(17-22)24(29)26-18-23(19-8-10-21(25)11-9-19)28-14-12-27(2)13-15-28/h5-11,17,23H,3-4,12-16,18H2,1-2H3,(H,26,29)
InChIKeyVFYJOKMZSDQWIG-UHFFFAOYSA-N
MW429.99 g/mol
LogP4.24
Rot. Bonds9

About 3-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide

3-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide (PubChem CID 43843601) has the molecular formula C24H32ClN3O2 and a molecular weight of 429.99 g/mol. Its IUPAC name is 3-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
PubChem CID43843601
Molecular FormulaC24H32ClN3O2
Molecular Weight429.99 g/mol
Exact Mass429.22
IUPAC Name3-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
SMILESCCCCOc1cccc(C(=O)NCC(c2ccc(Cl)cc2)N2CCN(C)CC2)c1
InChIInChI=1S/C24H32ClN3O2/c1-3-4-16-30-22-7-5-6-20(17-22)24(29)26-18-23(19-8-10-21(25)11-9-19)28-14-12-27(2)13-15-28/h5-11,17,23H,3-4,12-16,18H2,1-2H3,(H,26,29)
InChIKeyVFYJOKMZSDQWIG-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'}

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Related Compounds

N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-propoxybenzamide
CID 35573533
2-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 43843608
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-propoxybenzamide
CID 43842968
3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzamide
CID 112503169
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-propoxybenzamide;hydrochloride
CID 52985153
N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-3-propoxybenzamide
CID 17012220
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-3-butoxybenzamide
CID 35042150
3-butoxy-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 35041734
3-butoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 45133052
3,4-difluoro-N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 43990737
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-3-ethoxybenzamide
CID 34954508
3-ethoxy-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35672261

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 3-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide (CID 43843601) is 3-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 3-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide is CCCCOc1cccc(C(=O)NCC(c2ccc(Cl)cc2)N2CCN(C)CC2)c1.
What is the InChIKey of 3-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is VFYJOKMZSDQWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O2/c1-3-4-16-30-22-7-5-6-20(17-22)24(29)26-18-23(19-8-10-21(25)11-9-19)28-14-12-27(2)13-15-28/h5-11,17,23H,3-4,12-16,18H2,1-2H3,(H,26,29).
What are the key properties of 3-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide?
3-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 3-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 43843601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).