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

C20H28N4O4 — CID 49397345

IUPAC4-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
SMILESCCN1CCN(CC(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)C(=O)C1=O
InChIInChI=1S/C20H28N4O4/c1-5-23-8-9-24(20(28)19(23)27)12-17(25)22-16-7-6-15(10-14(16)4)18(26)21-11-13(2)3/h6-7,10,13H,5,8-9,11-12H2,1-4H3,(H,21,26)(H,22,25)
InChIKeyHXSOWGHIOJZPPZ-UHFFFAOYSA-N
MW388.47 g/mol
LogP1.01
Rot. Bonds7

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

4-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide (PubChem CID 49397345) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
PubChem CID49397345
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name4-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
SMILESCCN1CCN(CC(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)C(=O)C1=O
InChIInChI=1S/C20H28N4O4/c1-5-23-8-9-24(20(28)19(23)27)12-17(25)22-16-7-6-15(10-14(16)4)18(26)21-11-13(2)3/h6-7,10,13H,5,8-9,11-12H2,1-4H3,(H,21,26)(H,22,25)
InChIKeyHXSOWGHIOJZPPZ-UHFFFAOYSA-N
XLogP1.01
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide
CID 86901347
N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47264617
4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 49433503
3-methyl-N-(2-methylpropyl)-4-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide
CID 49340244
3-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide
CID 50844530
N-[(2R)-butan-2-yl]-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 95266886
N-[(2S)-butan-2-yl]-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 95266887
3-methyl-N-(2-methylpropyl)-4-[[2-(4-sulfamoylphenyl)acetyl]amino]benzamide
CID 56510951
2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 122150470
3-methyl-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 56582986
4-[(1-aminocyclohexanecarbonyl)amino]-3-methyl-N-(2-methylpropyl)benzamide;hydrochloride
CID 119310067
4-N-(4-bromo-2-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043990

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide (CID 49397345) is 4-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide is CCN1CCN(CC(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)C(=O)C1=O.
What is the InChIKey of 4-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is HXSOWGHIOJZPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-5-23-8-9-24(20(28)19(23)27)12-17(25)22-16-7-6-15(10-14(16)4)18(26)21-11-13(2)3/h6-7,10,13H,5,8-9,11-12H2,1-4H3,(H,21,26)(H,22,25).
What are the key properties of 4-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide?
4-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 388.47 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 49397345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).