N-(2-aminooxyethyl)-3,4-dimethoxybenzamide

C11H16N2O4 — CID 92931840

IUPACN-(2-aminooxyethyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCON)cc1OC
InChIInChI=1S/C11H16N2O4/c1-15-9-4-3-8(7-10(9)16-2)11(14)13-5-6-17-12/h3-4,7H,5-6,12H2,1-2H3,(H,13,14)
InChIKeyRBGUTMZUBFGIDR-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.32
Rot. Bonds6

About N-(2-aminooxyethyl)-3,4-dimethoxybenzamide

N-(2-aminooxyethyl)-3,4-dimethoxybenzamide (PubChem CID 92931840) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-(2-aminooxyethyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-aminooxyethyl)-3,4-dimethoxybenzamide
PubChem CID92931840
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC NameN-(2-aminooxyethyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCON)cc1OC
InChIInChI=1S/C11H16N2O4/c1-15-9-4-3-8(7-10(9)16-2)11(14)13-5-6-17-12/h3-4,7H,5-6,12H2,1-2H3,(H,13,14)
InChIKeyRBGUTMZUBFGIDR-UHFFFAOYSA-N
XLogP0.32
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-aminobutyl)-3,4-dimethoxybenzamide
CID 63253883
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
N-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide
CID 2173279
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
N-(4-aminopentyl)-3,4-dimethoxybenzamide
CID 106122930
2-[2-methoxy-4-(2-methoxyethylcarbamoyl)phenoxy]pyrimidine-5-carboxamide
CID 142992517
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
3,4-dimethoxy-N-[2-(2-methylprop-2-enoylamino)ethyl]benzamide
CID 108935164
N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
CID 32968765
N-(2-aminooxyethyl)-3,5-dimethoxybenzamide
CID 92931838

Frequently Asked Questions

What is the IUPAC name of N-(2-aminooxyethyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(2-aminooxyethyl)-3,4-dimethoxybenzamide (CID 92931840) is N-(2-aminooxyethyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(2-aminooxyethyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(2-aminooxyethyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCCON)cc1OC.
What is the InChIKey of N-(2-aminooxyethyl)-3,4-dimethoxybenzamide?
The InChIKey is RBGUTMZUBFGIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-15-9-4-3-8(7-10(9)16-2)11(14)13-5-6-17-12/h3-4,7H,5-6,12H2,1-2H3,(H,13,14).
What are the key properties of N-(2-aminooxyethyl)-3,4-dimethoxybenzamide?
N-(2-aminooxyethyl)-3,4-dimethoxybenzamide has a molecular weight of 240.26 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminooxyethyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 92931840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).