4-acetamido-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

C24H30N4O4 — CID 46333123

IUPAC4-acetamido-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESCCOc1cccc(CN(CC(=O)N2CCNCC2)C(=O)c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C24H30N4O4/c1-3-32-22-6-4-5-19(15-22)16-28(17-23(30)27-13-11-25-12-14-27)24(31)20-7-9-21(10-8-20)26-18(2)29/h4-10,15,25H,3,11-14,16-17H2,1-2H3,(H,26,29)
InChIKeyONKVRAXAHNAOIR-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.12
Rot. Bonds8

About 4-acetamido-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

4-acetamido-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (PubChem CID 46333123) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 4-acetamido-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
PubChem CID46333123
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name4-acetamido-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESCCOc1cccc(CN(CC(=O)N2CCNCC2)C(=O)c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C24H30N4O4/c1-3-32-22-6-4-5-19(15-22)16-28(17-23(30)27-13-11-25-12-14-27)24(31)20-7-9-21(10-8-20)26-18(2)29/h4-10,15,25H,3,11-14,16-17H2,1-2H3,(H,26,29)
InChIKeyONKVRAXAHNAOIR-UHFFFAOYSA-N
XLogP2.12
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-acetamido-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)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

3-(dimethylamino)-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 20934294
4-acetamido-N-[(2-chlorophenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 46332945
4-cyano-N-[(3-methoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146058429
3-bromo-N-[(3-methylphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 46333110
4-acetamido-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 92501974
4-ethoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454852
3,4,5-trimethoxy-N-[(3-methoxyphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779334
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779414
4-butoxy-N-[(3-methylphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779594
(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484
N-[(4-bromophenyl)methyl]-3,4-dimethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 20934292
4-ethoxy-N-(3-morpholin-4-ylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 46332972

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 4-acetamido-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (CID 46333123) is 4-acetamido-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 4-acetamido-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 4-acetamido-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is CCOc1cccc(CN(CC(=O)N2CCNCC2)C(=O)c2ccc(NC(C)=O)cc2)c1.
What is the InChIKey of 4-acetamido-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The InChIKey is ONKVRAXAHNAOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-3-32-22-6-4-5-19(15-22)16-28(17-23(30)27-13-11-25-12-14-27)24(31)20-7-9-21(10-8-20)26-18(2)29/h4-10,15,25H,3,11-14,16-17H2,1-2H3,(H,26,29).
What are the key properties of 4-acetamido-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
4-acetamido-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide has a molecular weight of 438.53 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 46333123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).