N-(4-aminophenyl)-2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetamide

C14H18N4O3 — CID 79936313

IUPACN-(4-aminophenyl)-2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetamide
SMILESCCN1CC(=O)N(CC(=O)Nc2ccc(N)cc2)CC1=O
InChIInChI=1S/C14H18N4O3/c1-2-17-8-14(21)18(9-13(17)20)7-12(19)16-11-5-3-10(15)4-6-11/h3-6H,2,7-9,15H2,1H3,(H,16,19)
InChIKeyIYPQSGOTUGUKAH-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.10
Rot. Bonds4

About N-(4-aminophenyl)-2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetamide

N-(4-aminophenyl)-2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetamide (PubChem CID 79936313) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetamide
PubChem CID79936313
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC NameN-(4-aminophenyl)-2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetamide
SMILESCCN1CC(=O)N(CC(=O)Nc2ccc(N)cc2)CC1=O
InChIInChI=1S/C14H18N4O3/c1-2-17-8-14(21)18(9-13(17)20)7-12(19)16-11-5-3-10(15)4-6-11/h3-6H,2,7-9,15H2,1H3,(H,16,19)
InChIKeyIYPQSGOTUGUKAH-UHFFFAOYSA-N
XLogP-0.10
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetamide?
The IUPAC name of N-(4-aminophenyl)-2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetamide (CID 79936313) is N-(4-aminophenyl)-2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetamide is CCN1CC(=O)N(CC(=O)Nc2ccc(N)cc2)CC1=O.
What is the InChIKey of N-(4-aminophenyl)-2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetamide?
The InChIKey is IYPQSGOTUGUKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-2-17-8-14(21)18(9-13(17)20)7-12(19)16-11-5-3-10(15)4-6-11/h3-6H,2,7-9,15H2,1H3,(H,16,19).
What are the key properties of N-(4-aminophenyl)-2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetamide?
N-(4-aminophenyl)-2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetamide has a molecular weight of 290.32 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetamide is sourced from PubChem (CID 79936313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).