4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-N-(2-ethylphenyl)benzamide

C22H25N3O3 — CID 53135720

IUPAC4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-N-(2-ethylphenyl)benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(CN2CCN(CC)C(=O)C2=O)cc1
InChIInChI=1S/C22H25N3O3/c1-3-17-7-5-6-8-19(17)23-20(26)18-11-9-16(10-12-18)15-25-14-13-24(4-2)21(27)22(25)28/h5-12H,3-4,13-15H2,1-2H3,(H,23,26)
InChIKeyMYCIOTHAGNNUDR-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.69
Rot. Bonds6

About 4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-N-(2-ethylphenyl)benzamide

4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-N-(2-ethylphenyl)benzamide (PubChem CID 53135720) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-N-(2-ethylphenyl)benzamide.

Molecular Properties

Compound Name4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-N-(2-ethylphenyl)benzamide
PubChem CID53135720
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-N-(2-ethylphenyl)benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(CN2CCN(CC)C(=O)C2=O)cc1
InChIInChI=1S/C22H25N3O3/c1-3-17-7-5-6-8-19(17)23-20(26)18-11-9-16(10-12-18)15-25-14-13-24(4-2)21(27)22(25)28/h5-12H,3-4,13-15H2,1-2H3,(H,23,26)
InChIKeyMYCIOTHAGNNUDR-UHFFFAOYSA-N
XLogP2.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide
CID 43919325
methyl 4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]benzoate
CID 28942654
N-(4-ethoxyphenyl)-4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]benzamide
CID 53135680
4-(aminomethyl)-N-(2-ethylphenyl)benzamide
CID 16782121
4-[(4-benzyl-2,3-dioxopiperazin-1-yl)methyl]-N-(2-fluoro-4-methylphenyl)benzamide
CID 53135615
4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 53135695
N-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46394811
N-(2-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 7750845
N-(2-ethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide
CID 50790862
N-(3-chloro-2-fluorophenyl)-4-[(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)methyl]benzamide
CID 53135445
4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(2-ethylphenyl)benzamide
CID 1194962
4-ethyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601035

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-N-(2-ethylphenyl)benzamide?
The IUPAC name of 4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-N-(2-ethylphenyl)benzamide (CID 53135720) is 4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-N-(2-ethylphenyl)benzamide.
What is the SMILES notation for 4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-N-(2-ethylphenyl)benzamide?
The canonical SMILES for 4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-N-(2-ethylphenyl)benzamide is CCc1ccccc1NC(=O)c1ccc(CN2CCN(CC)C(=O)C2=O)cc1.
What is the InChIKey of 4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-N-(2-ethylphenyl)benzamide?
The InChIKey is MYCIOTHAGNNUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-17-7-5-6-8-19(17)23-20(26)18-11-9-16(10-12-18)15-25-14-13-24(4-2)21(27)22(25)28/h5-12H,3-4,13-15H2,1-2H3,(H,23,26).
What are the key properties of 4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-N-(2-ethylphenyl)benzamide?
4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-N-(2-ethylphenyl)benzamide has a molecular weight of 379.46 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-N-(2-ethylphenyl)benzamide is sourced from PubChem (CID 53135720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).