N-(2-aminooxyethyl)-3,5-dimethoxybenzamide

C11H16N2O4 — CID 92931838

IUPACN-(2-aminooxyethyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCON)c1
InChIInChI=1S/C11H16N2O4/c1-15-9-5-8(6-10(7-9)16-2)11(14)13-3-4-17-12/h5-7H,3-4,12H2,1-2H3,(H,13,14)
InChIKeyULNMJFJZTPQXAG-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.32
Rot. Bonds6

About N-(2-aminooxyethyl)-3,5-dimethoxybenzamide

N-(2-aminooxyethyl)-3,5-dimethoxybenzamide (PubChem CID 92931838) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-(2-aminooxyethyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-aminooxyethyl)-3,5-dimethoxybenzamide
PubChem CID92931838
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC NameN-(2-aminooxyethyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCON)c1
InChIInChI=1S/C11H16N2O4/c1-15-9-5-8(6-10(7-9)16-2)11(14)13-3-4-17-12/h5-7H,3-4,12H2,1-2H3,(H,13,14)
InChIKeyULNMJFJZTPQXAG-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-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethoxybenzamide
CID 134957452
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108539471
N-(3-amino-4-methoxybutyl)-3,5-dimethoxybenzamide
CID 106243059
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62663294
N-(2-aminooxyethyl)-3,4-dimethoxybenzamide
CID 92931840
1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide
CID 170010863
N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113100586
N-[2-[(4-bromobenzoyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 108539326
N-[2-(butanoylamino)ethyl]-3,5-dimethoxybenzamide
CID 108571368
N-(3-cyanopropyl)-3,5-dimethoxybenzamide
CID 62668308

Frequently Asked Questions

What is the IUPAC name of N-(2-aminooxyethyl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(2-aminooxyethyl)-3,5-dimethoxybenzamide (CID 92931838) is N-(2-aminooxyethyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(2-aminooxyethyl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(2-aminooxyethyl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCON)c1.
What is the InChIKey of N-(2-aminooxyethyl)-3,5-dimethoxybenzamide?
The InChIKey is ULNMJFJZTPQXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-15-9-5-8(6-10(7-9)16-2)11(14)13-3-4-17-12/h5-7H,3-4,12H2,1-2H3,(H,13,14).
What are the key properties of N-(2-aminooxyethyl)-3,5-dimethoxybenzamide?
N-(2-aminooxyethyl)-3,5-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)-3,5-dimethoxybenzamide is sourced from PubChem (CID 92931838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).