N-(2-amino-2-oxo-1-phenylethyl)-4-ethyl-2,3-dioxopiperazine-1-carboxamide

C15H18N4O4 — CID 19833690

IUPACN-(2-amino-2-oxo-1-phenylethyl)-4-ethyl-2,3-dioxopiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC(C(N)=O)c2ccccc2)C(=O)C1=O
InChIInChI=1S/C15H18N4O4/c1-2-18-8-9-19(14(22)13(18)21)15(23)17-11(12(16)20)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H2,16,20)(H,17,23)
InChIKeyMWJIZCIYRUZIFY-UHFFFAOYSA-N
MW318.33 g/mol
LogP-0.39
Rot. Bonds4

About N-(2-amino-2-oxo-1-phenylethyl)-4-ethyl-2,3-dioxopiperazine-1-carboxamide

N-(2-amino-2-oxo-1-phenylethyl)-4-ethyl-2,3-dioxopiperazine-1-carboxamide (PubChem CID 19833690) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-phenylethyl)-4-ethyl-2,3-dioxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxo-1-phenylethyl)-4-ethyl-2,3-dioxopiperazine-1-carboxamide
PubChem CID19833690
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC NameN-(2-amino-2-oxo-1-phenylethyl)-4-ethyl-2,3-dioxopiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC(C(N)=O)c2ccccc2)C(=O)C1=O
InChIInChI=1S/C15H18N4O4/c1-2-18-8-9-19(14(22)13(18)21)15(23)17-11(12(16)20)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H2,16,20)(H,17,23)
InChIKeyMWJIZCIYRUZIFY-UHFFFAOYSA-N
XLogP-0.39
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 5-0.39
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

(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetate
CID 7157273
(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl chloride
CID 13212084
4-ethyl-2,3-dioxo-N-(2-oxo-1-phenylethyl)piperazine-1-carboxamide
CID 19880173
[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]methyl formate
CID 173444536
(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetate
CID 7021031
N-(2-amino-2-oxo-1-phenylethyl)-2-oxoimidazolidine-1-carboxamide
CID 20540544
S-[(2R,3R)-3-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-oxoazetidin-2-yl] ethanethioate
CID 152768522
4-ethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2,3-dioxopiperazine-1-carboxamide;yttrium
CID 59188807
[[(2R)-2-(4-aminophenyl)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl]amino]methylboronic acid
CID 134814907
(2S,5R)-6-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 59024672
potassium (3R)-3-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3-methoxy-2-oxoazetidine-1-sulfonate
CID 23692943
4-ethyl-2,3-dioxo-N-[2-oxo-1-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboxamide
CID 54395902

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-4-ethyl-2,3-dioxopiperazine-1-carboxamide?
The IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-4-ethyl-2,3-dioxopiperazine-1-carboxamide (CID 19833690) is N-(2-amino-2-oxo-1-phenylethyl)-4-ethyl-2,3-dioxopiperazine-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxo-1-phenylethyl)-4-ethyl-2,3-dioxopiperazine-1-carboxamide?
The canonical SMILES for N-(2-amino-2-oxo-1-phenylethyl)-4-ethyl-2,3-dioxopiperazine-1-carboxamide is CCN1CCN(C(=O)NC(C(N)=O)c2ccccc2)C(=O)C1=O.
What is the InChIKey of N-(2-amino-2-oxo-1-phenylethyl)-4-ethyl-2,3-dioxopiperazine-1-carboxamide?
The InChIKey is MWJIZCIYRUZIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-2-18-8-9-19(14(22)13(18)21)15(23)17-11(12(16)20)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H2,16,20)(H,17,23).
What are the key properties of N-(2-amino-2-oxo-1-phenylethyl)-4-ethyl-2,3-dioxopiperazine-1-carboxamide?
N-(2-amino-2-oxo-1-phenylethyl)-4-ethyl-2,3-dioxopiperazine-1-carboxamide has a molecular weight of 318.33 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxo-1-phenylethyl)-4-ethyl-2,3-dioxopiperazine-1-carboxamide is sourced from PubChem (CID 19833690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).