N-(3-amino-2,2-dimethylpropyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methylacetamide

C14H26N4O3 — CID 119655735

IUPACN-(3-amino-2,2-dimethylpropyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methylacetamide
SMILESCCN1CCN(CC(=O)N(C)CC(C)(C)CN)C(=O)C1=O
InChIInChI=1S/C14H26N4O3/c1-5-17-6-7-18(13(21)12(17)20)8-11(19)16(4)10-14(2,3)9-15/h5-10,15H2,1-4H3
InChIKeyLZVPSLSHWMUBCO-UHFFFAOYSA-N
MW298.39 g/mol
LogP-0.88
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methylacetamide

N-(3-amino-2,2-dimethylpropyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methylacetamide (PubChem CID 119655735) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methylacetamide
PubChem CID119655735
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methylacetamide
SMILESCCN1CCN(CC(=O)N(C)CC(C)(C)CN)C(=O)C1=O
InChIInChI=1S/C14H26N4O3/c1-5-17-6-7-18(13(21)12(17)20)8-11(19)16(4)10-14(2,3)9-15/h5-10,15H2,1-4H3
InChIKeyLZVPSLSHWMUBCO-UHFFFAOYSA-N
XLogP-0.88
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
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-(3-amino-2,2-dimethylpropyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methylacetamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methylacetamide (CID 119655735) is N-(3-amino-2,2-dimethylpropyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methylacetamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methylacetamide is CCN1CCN(CC(=O)N(C)CC(C)(C)CN)C(=O)C1=O.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methylacetamide?
The InChIKey is LZVPSLSHWMUBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-5-17-6-7-18(13(21)12(17)20)8-11(19)16(4)10-14(2,3)9-15/h5-10,15H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methylacetamide?
N-(3-amino-2,2-dimethylpropyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methylacetamide has a molecular weight of 298.39 g/mol, XLogP of -0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methylacetamide is sourced from PubChem (CID 119655735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).