N-(1-amino-4-methylpentan-2-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide

C14H26N4O3 — CID 119587832

IUPACN-(1-amino-4-methylpentan-2-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)NC(CN)CC(C)C)C(=O)C1=O
InChIInChI=1S/C14H26N4O3/c1-4-17-5-6-18(14(21)13(17)20)9-12(19)16-11(8-15)7-10(2)3/h10-11H,4-9,15H2,1-3H3,(H,16,19)
InChIKeyWEHVOSPSZXLBNA-UHFFFAOYSA-N
MW298.39 g/mol
LogP-0.83
Rot. Bonds7

About N-(1-amino-4-methylpentan-2-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide

N-(1-amino-4-methylpentan-2-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide (PubChem CID 119587832) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
PubChem CID119587832
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)NC(CN)CC(C)C)C(=O)C1=O
InChIInChI=1S/C14H26N4O3/c1-4-17-5-6-18(14(21)13(17)20)9-12(19)16-11(8-15)7-10(2)3/h10-11H,4-9,15H2,1-3H3,(H,16,19)
InChIKeyWEHVOSPSZXLBNA-UHFFFAOYSA-N
XLogP-0.83
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide (CID 119587832) is N-(1-amino-4-methylpentan-2-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide is CCN1CCN(CC(=O)NC(CN)CC(C)C)C(=O)C1=O.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
The InChIKey is WEHVOSPSZXLBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-4-17-5-6-18(14(21)13(17)20)9-12(19)16-11(8-15)7-10(2)3/h10-11H,4-9,15H2,1-3H3,(H,16,19).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
N-(1-amino-4-methylpentan-2-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide has a molecular weight of 298.39 g/mol, XLogP of -0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide is sourced from PubChem (CID 119587832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).