N-[(2-methylpropan-2-yl)oxy]-3-oxocyclobutane-1-carboxamide

C9H15NO3 — CID 127000344

IUPACN-[(2-methylpropan-2-yl)oxy]-3-oxocyclobutane-1-carboxamide
SMILESCC(C)(C)ONC(=O)C1CC(=O)C1
InChIInChI=1S/C9H15NO3/c1-9(2,3)13-10-8(12)6-4-7(11)5-6/h6H,4-5H2,1-3H3,(H,10,12)
InChIKeyNHTJHZNDBFXHLG-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.81
Rot. Bonds2

About N-[(2-methylpropan-2-yl)oxy]-3-oxocyclobutane-1-carboxamide

N-[(2-methylpropan-2-yl)oxy]-3-oxocyclobutane-1-carboxamide (PubChem CID 127000344) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-3-oxocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-3-oxocyclobutane-1-carboxamide
PubChem CID127000344
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-3-oxocyclobutane-1-carboxamide
SMILESCC(C)(C)ONC(=O)C1CC(=O)C1
InChIInChI=1S/C9H15NO3/c1-9(2,3)13-10-8(12)6-4-7(11)5-6/h6H,4-5H2,1-3H3,(H,10,12)
InChIKeyNHTJHZNDBFXHLG-UHFFFAOYSA-N
XLogP0.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methylcyclopropyl)methyl]-3-oxocyclobutane-1-carboxamide
CID 130650873
4-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxamide
CID 82724672
(2S)-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide
CID 82724337
3-[(2-methylpropan-2-yl)oxycarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 82719747
tert-butyl 3-oxo-3-(3-oxo-6-bicyclo[3.1.0]hexanyl)propanoate
CID 129072305
N-[(2-methylpropan-2-yl)oxy]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 82723572
methyl 2-amino-6-[(3-oxocyclobutanecarbonyl)amino]hexanoate
CID 67365579
tert-butyl N-[(3S)-3-amino-2-oxopyrrolidin-1-yl]carbamate
CID 57152882
trans-methyl (1S,3S)-3-methyl-5-oxocyclohexane-1-carboxylate
CID 129411840
2-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82760561
N-[(1R,2R)-2-hydroxycyclobutyl]-3-oxocyclobutane-1-carboxamide
CID 131062346
tert-butyl N-[2-methyl-2-(3-oxocyclobutyl)propyl]carbamate
CID 121208114

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-3-oxocyclobutane-1-carboxamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-3-oxocyclobutane-1-carboxamide (CID 127000344) is N-[(2-methylpropan-2-yl)oxy]-3-oxocyclobutane-1-carboxamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-3-oxocyclobutane-1-carboxamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-3-oxocyclobutane-1-carboxamide is CC(C)(C)ONC(=O)C1CC(=O)C1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-3-oxocyclobutane-1-carboxamide?
The InChIKey is NHTJHZNDBFXHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-9(2,3)13-10-8(12)6-4-7(11)5-6/h6H,4-5H2,1-3H3,(H,10,12).
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-3-oxocyclobutane-1-carboxamide?
N-[(2-methylpropan-2-yl)oxy]-3-oxocyclobutane-1-carboxamide has a molecular weight of 185.22 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-3-oxocyclobutane-1-carboxamide is sourced from PubChem (CID 127000344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).