3-butoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide

C23H31N3O2 — CID 2200234

IUPAC3-butoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
SMILESCCCCOc1cccc(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)c1
InChIInChI=1S/C23H31N3O2/c1-3-5-17-28-22-8-6-7-19(18-22)23(27)24-20-9-11-21(12-10-20)26-15-13-25(4-2)14-16-26/h6-12,18H,3-5,13-17H2,1-2H3,(H,24,27)
InChIKeyJSNNVLCYCHVEHC-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.26
Rot. Bonds8

About 3-butoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide

3-butoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide (PubChem CID 2200234) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-butoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-butoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
PubChem CID2200234
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name3-butoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
SMILESCCCCOc1cccc(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)c1
InChIInChI=1S/C23H31N3O2/c1-3-5-17-28-22-8-6-7-19(18-22)23(27)24-20-9-11-21(12-10-20)26-15-13-25(4-2)14-16-26/h6-12,18H,3-5,13-17H2,1-2H3,(H,24,27)
InChIKeyJSNNVLCYCHVEHC-UHFFFAOYSA-N
XLogP4.26
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-butoxybenzamide
CID 3140260
N-(4-piperidin-1-ylphenyl)-3-propoxybenzamide
CID 2894189
3-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 834145
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]-3-butoxybenzamide
CID 91675878
3-ethoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-phenoxyethoxy)benzamide
CID 42297313
N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-3-propoxybenzamide
CID 5202976
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
3-butoxy-N-[[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 17334277

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 3-butoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide (CID 2200234) is 3-butoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-butoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 3-butoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide is CCCCOc1cccc(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)c1.
What is the InChIKey of 3-butoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is JSNNVLCYCHVEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-3-5-17-28-22-8-6-7-19(18-22)23(27)24-20-9-11-21(12-10-20)26-15-13-25(4-2)14-16-26/h6-12,18H,3-5,13-17H2,1-2H3,(H,24,27).
What are the key properties of 3-butoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide?
3-butoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 381.52 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 2200234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).