N-(2,2-dimethylpropyl)-2-[[2-[(2-hydroperoxyacetyl)amino]acetyl]amino]acetamide

C11H21N3O5 — CID 166997753

IUPACN-(2,2-dimethylpropyl)-2-[[2-[(2-hydroperoxyacetyl)amino]acetyl]amino]acetamide
SMILESCC(C)(C)CNC(=O)CNC(=O)CNC(=O)COO
InChIInChI=1S/C11H21N3O5/c1-11(2,3)7-14-9(16)5-12-8(15)4-13-10(17)6-19-18/h18H,4-7H2,1-3H3,(H,12,15)(H,13,17)(H,14,16)
InChIKeyKMVWHIKXMNTCGT-UHFFFAOYSA-N
MW275.31 g/mol
LogP-1.13
Rot. Bonds7

About N-(2,2-dimethylpropyl)-2-[[2-[(2-hydroperoxyacetyl)amino]acetyl]amino]acetamide

N-(2,2-dimethylpropyl)-2-[[2-[(2-hydroperoxyacetyl)amino]acetyl]amino]acetamide (PubChem CID 166997753) has the molecular formula C11H21N3O5 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-[[2-[(2-hydroperoxyacetyl)amino]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-[[2-[(2-hydroperoxyacetyl)amino]acetyl]amino]acetamide
PubChem CID166997753
Molecular FormulaC11H21N3O5
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC NameN-(2,2-dimethylpropyl)-2-[[2-[(2-hydroperoxyacetyl)amino]acetyl]amino]acetamide
SMILESCC(C)(C)CNC(=O)CNC(=O)CNC(=O)COO
InChIInChI=1S/C11H21N3O5/c1-11(2,3)7-14-9(16)5-12-8(15)4-13-10(17)6-19-18/h18H,4-7H2,1-3H3,(H,12,15)(H,13,17)(H,14,16)
InChIKeyKMVWHIKXMNTCGT-UHFFFAOYSA-N
XLogP-1.13
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

[2-(2,2-dimethylpropylamino)-2-oxoethyl] 4,4-dimethylpentanoate
CID 159685378
N-[2-[2-[2-[2-[2-[2-(2,2-dimethylpropylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727684
N-ethyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]acetamide
CID 112605003
N-[2-[2-[2-[2-[2-[2-(2,2-dimethylpropylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropanamide
CID 155459719
3-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide
CID 168855323
N-tert-butyl-2-[(2-methoxyacetyl)amino]acetamide
CID 71944236
2-(4-aminophenoxy)-N-(2,2-dimethylpropyl)acetamide
CID 61168038
N-(2,2-dimethylpropyl)-2,2-dimethylbutanamide
CID 54381373
N-(2,2-dimethylpropyl)-3-hydroxybutanamide
CID 87908757
2-acetamido-N-(2-amino-2-methylpropyl)acetamide
CID 81482471
tert-butyl N-[2-(2,2-dihydroxypropylamino)-2-oxoethyl]carbamate
CID 167104195
2-diethoxyphosphoryl-N-(2,2-dimethylpropyl)acetamide
CID 21027139

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-[[2-[(2-hydroperoxyacetyl)amino]acetyl]amino]acetamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-[[2-[(2-hydroperoxyacetyl)amino]acetyl]amino]acetamide (CID 166997753) is N-(2,2-dimethylpropyl)-2-[[2-[(2-hydroperoxyacetyl)amino]acetyl]amino]acetamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-[[2-[(2-hydroperoxyacetyl)amino]acetyl]amino]acetamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-[[2-[(2-hydroperoxyacetyl)amino]acetyl]amino]acetamide is CC(C)(C)CNC(=O)CNC(=O)CNC(=O)COO.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-[[2-[(2-hydroperoxyacetyl)amino]acetyl]amino]acetamide?
The InChIKey is KMVWHIKXMNTCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5/c1-11(2,3)7-14-9(16)5-12-8(15)4-13-10(17)6-19-18/h18H,4-7H2,1-3H3,(H,12,15)(H,13,17)(H,14,16).
What are the key properties of N-(2,2-dimethylpropyl)-2-[[2-[(2-hydroperoxyacetyl)amino]acetyl]amino]acetamide?
N-(2,2-dimethylpropyl)-2-[[2-[(2-hydroperoxyacetyl)amino]acetyl]amino]acetamide has a molecular weight of 275.31 g/mol, XLogP of -1.13, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-[[2-[(2-hydroperoxyacetyl)amino]acetyl]amino]acetamide is sourced from PubChem (CID 166997753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).