N-[3-(methoxyamino)phenyl]propanamide;toluene

C17H22N2O2 — CID 163567770

IUPACN-[3-(methoxyamino)phenyl]propanamide;toluene
SMILESCCC(=O)Nc1cccc(NOC)c1.Cc1ccccc1
InChIInChI=1S/C10H14N2O2.C7H8/c1-3-10(13)11-8-5-4-6-9(7-8)12-14-2;1-7-5-3-2-4-6-7/h4-7,12H,3H2,1-2H3,(H,11,13);2-6H,1H3
InChIKeyFWQWVBRGCGDILF-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.00
Rot. Bonds4

About N-[3-(methoxyamino)phenyl]propanamide;toluene

N-[3-(methoxyamino)phenyl]propanamide;toluene (PubChem CID 163567770) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[3-(methoxyamino)phenyl]propanamide;toluene.

Molecular Properties

Compound NameN-[3-(methoxyamino)phenyl]propanamide;toluene
PubChem CID163567770
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[3-(methoxyamino)phenyl]propanamide;toluene
SMILESCCC(=O)Nc1cccc(NOC)c1.Cc1ccccc1
InChIInChI=1S/C10H14N2O2.C7H8/c1-3-10(13)11-8-5-4-6-9(7-8)12-14-2;1-7-5-3-2-4-6-7/h4-7,12H,3H2,1-2H3,(H,11,13);2-6H,1H3
InChIKeyFWQWVBRGCGDILF-UHFFFAOYSA-N
XLogP4.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.00
H-Bond Donors ≤ 52
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-[3-(methoxyamino)phenyl]acetamide;toluene
CID 163614095
N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 883065
N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]propanamide
CID 54814253
N-[3-[(4-methylphenyl)methylamino]phenyl]propanamide
CID 28661898
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]propanamide
CID 54813237
N-[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]propanamide
CID 46568360
N-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 17188255
N-(3-benzylphenyl)propanamide
CID 70797974
ethane;methane;N-phenylpropanamide
CID 159778408
N,N'-bis[3-(propanoylamino)phenyl]nonanediamide
CID 17188809
4-(2-phenoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide
CID 17188307
[3-(propanoylamino)phenyl] N-phenylcarbamate
CID 57133762

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxyamino)phenyl]propanamide;toluene?
The IUPAC name of N-[3-(methoxyamino)phenyl]propanamide;toluene (CID 163567770) is N-[3-(methoxyamino)phenyl]propanamide;toluene.
What is the SMILES notation for N-[3-(methoxyamino)phenyl]propanamide;toluene?
The canonical SMILES for N-[3-(methoxyamino)phenyl]propanamide;toluene is CCC(=O)Nc1cccc(NOC)c1.Cc1ccccc1.
What is the InChIKey of N-[3-(methoxyamino)phenyl]propanamide;toluene?
The InChIKey is FWQWVBRGCGDILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2.C7H8/c1-3-10(13)11-8-5-4-6-9(7-8)12-14-2;1-7-5-3-2-4-6-7/h4-7,12H,3H2,1-2H3,(H,11,13);2-6H,1H3.
What are the key properties of N-[3-(methoxyamino)phenyl]propanamide;toluene?
N-[3-(methoxyamino)phenyl]propanamide;toluene has a molecular weight of 286.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxyamino)phenyl]propanamide;toluene is sourced from PubChem (CID 163567770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).