4-ethoxy-3-methyl-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]benzamide

C24H31N3O3 — CID 86938558

IUPAC4-ethoxy-3-methyl-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]benzamide
SMILESCCOc1ccc(C(=O)NCCCC(=O)N2CCN(c3ccccc3)CC2)cc1C
InChIInChI=1S/C24H31N3O3/c1-3-30-22-12-11-20(18-19(22)2)24(29)25-13-7-10-23(28)27-16-14-26(15-17-27)21-8-5-4-6-9-21/h4-6,8-9,11-12,18H,3,7,10,13-17H2,1-2H3,(H,25,29)
InChIKeyATMWUZQWPKVUFO-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.25
Rot. Bonds8

About 4-ethoxy-3-methyl-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]benzamide

4-ethoxy-3-methyl-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]benzamide (PubChem CID 86938558) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 4-ethoxy-3-methyl-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-3-methyl-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]benzamide
PubChem CID86938558
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name4-ethoxy-3-methyl-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]benzamide
SMILESCCOc1ccc(C(=O)NCCCC(=O)N2CCN(c3ccccc3)CC2)cc1C
InChIInChI=1S/C24H31N3O3/c1-3-30-22-12-11-20(18-19(22)2)24(29)25-13-7-10-23(28)27-16-14-26(15-17-27)21-8-5-4-6-9-21/h4-6,8-9,11-12,18H,3,7,10,13-17H2,1-2H3,(H,25,29)
InChIKeyATMWUZQWPKVUFO-UHFFFAOYSA-N
XLogP3.25
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.25
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

3,4,5-triethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224516
3-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 17226023
3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224538
4-ethoxy-3-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 100576325
1-[4-(4-ethoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]pentan-1-one
CID 110806705
4-methylsulfonyl-3-nitro-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 71719591
tert-butyl N-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutyl]carbamate
CID 9068973
1-(3,4-dimethylphenyl)-4-[4-(2-ethoxyphenyl)piperazin-1-yl]butane-1,4-dione
CID 9069021
N-(2-acetamidoethyl)-4-ethoxy-3-methylbenzamide
CID 110762173
3,4,5-triethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 42266222
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
3,4-diethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224898

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methyl-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]benzamide?
The IUPAC name of 4-ethoxy-3-methyl-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]benzamide (CID 86938558) is 4-ethoxy-3-methyl-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]benzamide.
What is the SMILES notation for 4-ethoxy-3-methyl-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]benzamide?
The canonical SMILES for 4-ethoxy-3-methyl-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]benzamide is CCOc1ccc(C(=O)NCCCC(=O)N2CCN(c3ccccc3)CC2)cc1C.
What is the InChIKey of 4-ethoxy-3-methyl-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]benzamide?
The InChIKey is ATMWUZQWPKVUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-3-30-22-12-11-20(18-19(22)2)24(29)25-13-7-10-23(28)27-16-14-26(15-17-27)21-8-5-4-6-9-21/h4-6,8-9,11-12,18H,3,7,10,13-17H2,1-2H3,(H,25,29).
What are the key properties of 4-ethoxy-3-methyl-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]benzamide?
4-ethoxy-3-methyl-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]benzamide has a molecular weight of 409.53 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methyl-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]benzamide is sourced from PubChem (CID 86938558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).