4-[[2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetyl]amino]-N-(4-ethoxyphenyl)benzamide

C23H28N4O4 — CID 56542530

IUPAC4-[[2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)CN3CCNC(=O)C3(C)C)cc2)cc1
InChIInChI=1S/C23H28N4O4/c1-4-31-19-11-9-18(10-12-19)26-21(29)16-5-7-17(8-6-16)25-20(28)15-27-14-13-24-22(30)23(27,2)3/h5-12H,4,13-15H2,1-3H3,(H,24,30)(H,25,28)(H,26,29)
InChIKeyCQYYJUYCUZOXDQ-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.49
Rot. Bonds7

About 4-[[2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetyl]amino]-N-(4-ethoxyphenyl)benzamide

4-[[2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetyl]amino]-N-(4-ethoxyphenyl)benzamide (PubChem CID 56542530) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-[[2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetyl]amino]-N-(4-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
PubChem CID56542530
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name4-[[2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)CN3CCNC(=O)C3(C)C)cc2)cc1
InChIInChI=1S/C23H28N4O4/c1-4-31-19-11-9-18(10-12-19)26-21(29)16-5-7-17(8-6-16)25-20(28)15-27-14-13-24-22(30)23(27,2)3/h5-12H,4,13-15H2,1-3H3,(H,24,30)(H,25,28)(H,26,29)
InChIKeyCQYYJUYCUZOXDQ-UHFFFAOYSA-N
XLogP2.49
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide
CID 63594738
N-(4-ethoxyphenyl)-4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide
CID 43055653
N-(4-ethoxyphenyl)-4-[(2-hydroxyacetyl)amino]benzamide
CID 8006880
4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 8930959
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
4-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 8900210
N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
CID 26218143
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
N-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044668
N-(4-ethoxyphenyl)-4-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 98396447
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
4-ethoxy-N-pyridin-4-ylbenzamide
CID 803153

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetyl]amino]-N-(4-ethoxyphenyl)benzamide?
The IUPAC name of 4-[[2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetyl]amino]-N-(4-ethoxyphenyl)benzamide (CID 56542530) is 4-[[2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetyl]amino]-N-(4-ethoxyphenyl)benzamide.
What is the SMILES notation for 4-[[2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetyl]amino]-N-(4-ethoxyphenyl)benzamide?
The canonical SMILES for 4-[[2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetyl]amino]-N-(4-ethoxyphenyl)benzamide is CCOc1ccc(NC(=O)c2ccc(NC(=O)CN3CCNC(=O)C3(C)C)cc2)cc1.
What is the InChIKey of 4-[[2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetyl]amino]-N-(4-ethoxyphenyl)benzamide?
The InChIKey is CQYYJUYCUZOXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-4-31-19-11-9-18(10-12-19)26-21(29)16-5-7-17(8-6-16)25-20(28)15-27-14-13-24-22(30)23(27,2)3/h5-12H,4,13-15H2,1-3H3,(H,24,30)(H,25,28)(H,26,29).
What are the key properties of 4-[[2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetyl]amino]-N-(4-ethoxyphenyl)benzamide?
4-[[2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetyl]amino]-N-(4-ethoxyphenyl)benzamide has a molecular weight of 424.50 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetyl]amino]-N-(4-ethoxyphenyl)benzamide is sourced from PubChem (CID 56542530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).