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

C14H24N4O4 — CID 46492120

IUPACN-[2-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]ethyl]-2-methylpropanamide
SMILESCCN1CCN(CC(=O)NCCNC(=O)C(C)C)C(=O)C1=O
InChIInChI=1S/C14H24N4O4/c1-4-17-7-8-18(14(22)13(17)21)9-11(19)15-5-6-16-12(20)10(2)3/h10H,4-9H2,1-3H3,(H,15,19)(H,16,20)
InChIKeyUUMWDXLOUFZROR-UHFFFAOYSA-N
MW312.37 g/mol
LogP-1.43
Rot. Bonds7

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

N-[2-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]ethyl]-2-methylpropanamide (PubChem CID 46492120) has the molecular formula C14H24N4O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[2-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]ethyl]-2-methylpropanamide
PubChem CID46492120
Molecular FormulaC14H24N4O4
Molecular Weight312.37 g/mol
Exact Mass312.18
IUPAC NameN-[2-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]ethyl]-2-methylpropanamide
SMILESCCN1CCN(CC(=O)NCCNC(=O)C(C)C)C(=O)C1=O
InChIInChI=1S/C14H24N4O4/c1-4-17-7-8-18(14(22)13(17)21)9-11(19)15-5-6-16-12(20)10(2)3/h10H,4-9H2,1-3H3,(H,15,19)(H,16,20)
InChIKeyUUMWDXLOUFZROR-UHFFFAOYSA-N
XLogP-1.43
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 119587832
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 55791847
N-[2-(ethylaminomethyl)phenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 119440254
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide
CID 55699692
4-(4-ethyl-2,3-dioxopiperazin-1-yl)pentanehydrazide
CID 63572222
N-(4-chlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 7190167
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 55909912
(2R)-2-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 119367288
N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62839250
4-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 49397345
N-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide
CID 61251740
1-ethyl-4-[3-(2-fluorophenyl)-2-oxopropyl]piperazine-2,3-dione
CID 62016943

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]ethyl]-2-methylpropanamide (CID 46492120) is N-[2-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]ethyl]-2-methylpropanamide is CCN1CCN(CC(=O)NCCNC(=O)C(C)C)C(=O)C1=O.
What is the InChIKey of N-[2-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]ethyl]-2-methylpropanamide?
The InChIKey is UUMWDXLOUFZROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O4/c1-4-17-7-8-18(14(22)13(17)21)9-11(19)15-5-6-16-12(20)10(2)3/h10H,4-9H2,1-3H3,(H,15,19)(H,16,20).
What are the key properties of N-[2-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]ethyl]-2-methylpropanamide?
N-[2-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]ethyl]-2-methylpropanamide has a molecular weight of 312.37 g/mol, XLogP of -1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 46492120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).