3-(1-methoxypropan-2-yloxy)-N-methyl-5-nitrosobenzamide

C12H16N2O4 — CID 143045887

IUPAC3-(1-methoxypropan-2-yloxy)-N-methyl-5-nitrosobenzamide
SMILESCNC(=O)c1cc(N=O)cc(OC(C)COC)c1
InChIInChI=1S/C12H16N2O4/c1-8(7-17-3)18-11-5-9(12(15)13-2)4-10(6-11)14-16/h4-6,8H,7H2,1-3H3,(H,13,15)
InChIKeyOLFUIOOFGQWKJW-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.86
Rot. Bonds6

About 3-(1-methoxypropan-2-yloxy)-N-methyl-5-nitrosobenzamide

3-(1-methoxypropan-2-yloxy)-N-methyl-5-nitrosobenzamide (PubChem CID 143045887) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-(1-methoxypropan-2-yloxy)-N-methyl-5-nitrosobenzamide.

Molecular Properties

Compound Name3-(1-methoxypropan-2-yloxy)-N-methyl-5-nitrosobenzamide
PubChem CID143045887
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name3-(1-methoxypropan-2-yloxy)-N-methyl-5-nitrosobenzamide
SMILESCNC(=O)c1cc(N=O)cc(OC(C)COC)c1
InChIInChI=1S/C12H16N2O4/c1-8(7-17-3)18-11-5-9(12(15)13-2)4-10(6-11)14-16/h4-6,8H,7H2,1-3H3,(H,13,15)
InChIKeyOLFUIOOFGQWKJW-UHFFFAOYSA-N
XLogP1.86
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

potassium 3-hydroxy-5-(1-methoxypropan-2-yloxy)benzoate
CID 77158836
potassium;hydride;3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoic acid
CID 173004850
methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenoxybenzoate
CID 58265939
methyl 6-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate
CID 58852339
3-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyrazole-1-carboxylic acid
CID 66921093
3-(4-acetylphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxy-N-[(Z)-3-(methylamino)prop-2-enimidoyl]benzamide
CID 143152044
N-[(Z)-1-amino-3-(methylamino)but-2-enylidene]-3-(1-methoxypropan-2-yloxy)-5-phenylmethoxybenzamide
CID 143391885
methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoate;sulfane
CID 161286829
3-(4-cyanophenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 11654366
ethane;methyl (2E)-2-[[1-[[3-(1-methoxypropan-2-yloxy)-5-phenylmethoxybenzoyl]amino]propylideneamino]methylidene]butanoate
CID 143059938
methyl 3-(1-methoxypropan-2-yloxy)-5-[(2-methylphenyl)methoxy]benzoate
CID 71021525
3-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 142693047

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropan-2-yloxy)-N-methyl-5-nitrosobenzamide?
The IUPAC name of 3-(1-methoxypropan-2-yloxy)-N-methyl-5-nitrosobenzamide (CID 143045887) is 3-(1-methoxypropan-2-yloxy)-N-methyl-5-nitrosobenzamide.
What is the SMILES notation for 3-(1-methoxypropan-2-yloxy)-N-methyl-5-nitrosobenzamide?
The canonical SMILES for 3-(1-methoxypropan-2-yloxy)-N-methyl-5-nitrosobenzamide is CNC(=O)c1cc(N=O)cc(OC(C)COC)c1.
What is the InChIKey of 3-(1-methoxypropan-2-yloxy)-N-methyl-5-nitrosobenzamide?
The InChIKey is OLFUIOOFGQWKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8(7-17-3)18-11-5-9(12(15)13-2)4-10(6-11)14-16/h4-6,8H,7H2,1-3H3,(H,13,15).
What are the key properties of 3-(1-methoxypropan-2-yloxy)-N-methyl-5-nitrosobenzamide?
3-(1-methoxypropan-2-yloxy)-N-methyl-5-nitrosobenzamide has a molecular weight of 252.27 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropan-2-yloxy)-N-methyl-5-nitrosobenzamide is sourced from PubChem (CID 143045887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).