3-cyclobutyl-N-methoxy-N,2,2,3-tetramethylbutanamide

C13H25NO2 — CID 88949774

IUPAC3-cyclobutyl-N-methoxy-N,2,2,3-tetramethylbutanamide
SMILESCON(C)C(=O)C(C)(C)C(C)(C)C1CCC1
InChIInChI=1S/C13H25NO2/c1-12(2,10-8-7-9-10)13(3,4)11(15)14(5)16-6/h10H,7-9H2,1-6H3
InChIKeyATAWBZGDCQSMTP-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.86
Rot. Bonds4

About 3-cyclobutyl-N-methoxy-N,2,2,3-tetramethylbutanamide

3-cyclobutyl-N-methoxy-N,2,2,3-tetramethylbutanamide (PubChem CID 88949774) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-cyclobutyl-N-methoxy-N,2,2,3-tetramethylbutanamide.

Molecular Properties

Compound Name3-cyclobutyl-N-methoxy-N,2,2,3-tetramethylbutanamide
PubChem CID88949774
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-cyclobutyl-N-methoxy-N,2,2,3-tetramethylbutanamide
SMILESCON(C)C(=O)C(C)(C)C(C)(C)C1CCC1
InChIInChI=1S/C13H25NO2/c1-12(2,10-8-7-9-10)13(3,4)11(15)14(5)16-6/h10H,7-9H2,1-6H3
InChIKeyATAWBZGDCQSMTP-UHFFFAOYSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-N-methylcyclobutanecarboxamide
CID 45084194
(2R)-2-carbazol-9-yl-2-cyclopentyl-N-methoxy-N-methylpropanamide
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N-methoxy-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78887822
2,2-difluoro-N-methoxy-N-methylpropanamide
CID 58736313
3-cyclobutyl-N-methoxy-N-methylpropanamide
CID 142020643
tert-butyl N-[1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate
CID 54436887
[1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl] acetate
CID 91623533
3-cyclobutyl-N-methoxy-N-methyl-2-oxopropanamide
CID 18374694
2-tert-butyl-N-methoxy-N-methylpyrrolidine-1-carboxamide
CID 155201079
(2R)-1-tert-butyl-N-methoxy-N-methylpyrrolidine-2-carboxamide
CID 89401756
methyl 2,2-dimethyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-3-oxopropanoate
CID 115174806
N-methoxy-N,2,2,4-tetramethyl-4-sulfanylpentanamide
CID 143976029

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-methoxy-N,2,2,3-tetramethylbutanamide?
The IUPAC name of 3-cyclobutyl-N-methoxy-N,2,2,3-tetramethylbutanamide (CID 88949774) is 3-cyclobutyl-N-methoxy-N,2,2,3-tetramethylbutanamide.
What is the SMILES notation for 3-cyclobutyl-N-methoxy-N,2,2,3-tetramethylbutanamide?
The canonical SMILES for 3-cyclobutyl-N-methoxy-N,2,2,3-tetramethylbutanamide is CON(C)C(=O)C(C)(C)C(C)(C)C1CCC1.
What is the InChIKey of 3-cyclobutyl-N-methoxy-N,2,2,3-tetramethylbutanamide?
The InChIKey is ATAWBZGDCQSMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-12(2,10-8-7-9-10)13(3,4)11(15)14(5)16-6/h10H,7-9H2,1-6H3.
What are the key properties of 3-cyclobutyl-N-methoxy-N,2,2,3-tetramethylbutanamide?
3-cyclobutyl-N-methoxy-N,2,2,3-tetramethylbutanamide has a molecular weight of 227.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-methoxy-N,2,2,3-tetramethylbutanamide is sourced from PubChem (CID 88949774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).