N-(2-aminooxyethyl)-4-methylbenzamide

C10H14N2O2 — CID 39239063

IUPACN-(2-aminooxyethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCON)cc1
InChIInChI=1S/C10H14N2O2/c1-8-2-4-9(5-3-8)10(13)12-6-7-14-11/h2-5H,6-7,11H2,1H3,(H,12,13)
InChIKeyWIWBROIWPMUTAY-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.62
Rot. Bonds4

About N-(2-aminooxyethyl)-4-methylbenzamide

N-(2-aminooxyethyl)-4-methylbenzamide (PubChem CID 39239063) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is N-(2-aminooxyethyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminooxyethyl)-4-methylbenzamide
PubChem CID39239063
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC NameN-(2-aminooxyethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCON)cc1
InChIInChI=1S/C10H14N2O2/c1-8-2-4-9(5-3-8)10(13)12-6-7-14-11/h2-5H,6-7,11H2,1H3,(H,12,13)
InChIKeyWIWBROIWPMUTAY-UHFFFAOYSA-N
XLogP0.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminooxypropyl)-4-methylbenzamide
CID 39242066
N-(2-aminooxyethyl)-4-fluorobenzamide
CID 39239976
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane
CID 143583879
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-(2-aminooxyethyl)-3,4-dimethoxybenzamide
CID 92931840
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide
CID 54880610
N-[2-[2-(aminomethyl)butanoylamino]ethyl]-4-methylbenzamide
CID 65227665
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
4-methyl-N-[2-(5-methylpyrimidin-2-yl)oxyethyl]benzamide;molecular hydrogen
CID 162753020
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255

Frequently Asked Questions

What is the IUPAC name of N-(2-aminooxyethyl)-4-methylbenzamide?
The IUPAC name of N-(2-aminooxyethyl)-4-methylbenzamide (CID 39239063) is N-(2-aminooxyethyl)-4-methylbenzamide.
What is the SMILES notation for N-(2-aminooxyethyl)-4-methylbenzamide?
The canonical SMILES for N-(2-aminooxyethyl)-4-methylbenzamide is Cc1ccc(C(=O)NCCON)cc1.
What is the InChIKey of N-(2-aminooxyethyl)-4-methylbenzamide?
The InChIKey is WIWBROIWPMUTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8-2-4-9(5-3-8)10(13)12-6-7-14-11/h2-5H,6-7,11H2,1H3,(H,12,13).
What are the key properties of N-(2-aminooxyethyl)-4-methylbenzamide?
N-(2-aminooxyethyl)-4-methylbenzamide has a molecular weight of 194.23 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminooxyethyl)-4-methylbenzamide is sourced from PubChem (CID 39239063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).