N-methoxy-N-methyl-2-(3-nitrosophenyl)-2-(oxetan-3-yl)acetamide

C13H16N2O4 — CID 167186889

IUPACN-methoxy-N-methyl-2-(3-nitrosophenyl)-2-(oxetan-3-yl)acetamide
SMILESCON(C)C(=O)C(c1cccc(N=O)c1)C1COC1
InChIInChI=1S/C13H16N2O4/c1-15(18-2)13(16)12(10-7-19-8-10)9-4-3-5-11(6-9)14-17/h3-6,10,12H,7-8H2,1-2H3
InChIKeyMJNRHBJNCHVKQU-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.83
Rot. Bonds5

About N-methoxy-N-methyl-2-(3-nitrosophenyl)-2-(oxetan-3-yl)acetamide

N-methoxy-N-methyl-2-(3-nitrosophenyl)-2-(oxetan-3-yl)acetamide (PubChem CID 167186889) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-(3-nitrosophenyl)-2-(oxetan-3-yl)acetamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-(3-nitrosophenyl)-2-(oxetan-3-yl)acetamide
PubChem CID167186889
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC NameN-methoxy-N-methyl-2-(3-nitrosophenyl)-2-(oxetan-3-yl)acetamide
SMILESCON(C)C(=O)C(c1cccc(N=O)c1)C1COC1
InChIInChI=1S/C13H16N2O4/c1-15(18-2)13(16)12(10-7-19-8-10)9-4-3-5-11(6-9)14-17/h3-6,10,12H,7-8H2,1-2H3
InChIKeyMJNRHBJNCHVKQU-UHFFFAOYSA-N
XLogP1.83
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyclobutyl-N-methoxy-N-methyl-2-[3-(prop-2-enylamino)phenyl]acetamide
CID 167186642
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CID 106590965
(2S,3R)-3-hydroxy-N-methoxy-N-methyl-2,3-diphenylpropanamide
CID 166438600
3-[(4-methyl-1,2,4-triazol-3-yl)-(3-nitrosophenyl)methyl]cyclobutane-1-carboxylic acid
CID 167186986
N-methoxy-N-methyl-3-oxo-2,3-diphenylpropanamide
CID 166438028
1-benzhydryl-N-methoxy-N-methylazetidine-3-carboxamide
CID 22506711
1,3-dicyclopropyl-1,3-bis(3-methoxyphenyl)propan-2-one
CID 141244570
N-methoxy-N,4-dimethyl-2-phenylpentanamide
CID 22270428
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075
tert-butyl-[(1S,2R)-1-tert-butylazanidyl-3-[methoxy(methyl)amino]-3-oxo-1-phenylpropan-2-yl]azanide;dioxoosmium(2+)
CID 177455278
2-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methoxy-N-methylpropanamide
CID 166447412
(2S)-N-methoxy-N-methyl-2-phenoxypropanamide
CID 95297395

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-(3-nitrosophenyl)-2-(oxetan-3-yl)acetamide?
The IUPAC name of N-methoxy-N-methyl-2-(3-nitrosophenyl)-2-(oxetan-3-yl)acetamide (CID 167186889) is N-methoxy-N-methyl-2-(3-nitrosophenyl)-2-(oxetan-3-yl)acetamide.
What is the SMILES notation for N-methoxy-N-methyl-2-(3-nitrosophenyl)-2-(oxetan-3-yl)acetamide?
The canonical SMILES for N-methoxy-N-methyl-2-(3-nitrosophenyl)-2-(oxetan-3-yl)acetamide is CON(C)C(=O)C(c1cccc(N=O)c1)C1COC1.
What is the InChIKey of N-methoxy-N-methyl-2-(3-nitrosophenyl)-2-(oxetan-3-yl)acetamide?
The InChIKey is MJNRHBJNCHVKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-15(18-2)13(16)12(10-7-19-8-10)9-4-3-5-11(6-9)14-17/h3-6,10,12H,7-8H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-2-(3-nitrosophenyl)-2-(oxetan-3-yl)acetamide?
N-methoxy-N-methyl-2-(3-nitrosophenyl)-2-(oxetan-3-yl)acetamide has a molecular weight of 264.28 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-(3-nitrosophenyl)-2-(oxetan-3-yl)acetamide is sourced from PubChem (CID 167186889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).