3-amino-4-methoxy-N-(2-methoxyethyl)benzamide

C11H16N2O3 — CID 16772972

IUPAC3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C11H16N2O3/c1-15-6-5-13-11(14)8-3-4-10(16-2)9(12)7-8/h3-4,7H,5-6,12H2,1-2H3,(H,13,14)
InChIKeyMTGNHOSDDXOPNP-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.65
Rot. Bonds5

About 3-amino-4-methoxy-N-(2-methoxyethyl)benzamide

3-amino-4-methoxy-N-(2-methoxyethyl)benzamide (PubChem CID 16772972) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
PubChem CID16772972
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C11H16N2O3/c1-15-6-5-13-11(14)8-3-4-10(16-2)9(12)7-8/h3-4,7H,5-6,12H2,1-2H3,(H,13,14)
InChIKeyMTGNHOSDDXOPNP-UHFFFAOYSA-N
XLogP0.65
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 115597601
3-amino-N-(4-amino-4-oxobutyl)-4-methoxybenzamide
CID 60864435
3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 82070538
[2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-4-methoxybenzoate
CID 61485706
3-amino-4-(2,5-dimethoxyanilino)-N-(2-methoxyethyl)benzamide
CID 100630644
3-amino-4-methoxy-N-(3-methylsulfinylpropyl)benzamide
CID 113487114
3-amino-N-[3-(diethylamino)-3-oxopropyl]-4-methoxybenzamide
CID 61102199
3-amino-4-(2-methoxyanilino)-N-(2-methoxyethyl)benzamide
CID 100629126
3-amino-N-(2-methoxyethyl)-4-[2-oxo-2-(propylamino)ethoxy]benzamide
CID 93216837
3-amino-N-(2-cyclopentylethyl)-4-methoxybenzamide
CID 54932498
3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 61090890
3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
CID 16788362

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-amino-4-methoxy-N-(2-methoxyethyl)benzamide (CID 16772972) is 3-amino-4-methoxy-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-amino-4-methoxy-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-amino-4-methoxy-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(OC)c(N)c1.
What is the InChIKey of 3-amino-4-methoxy-N-(2-methoxyethyl)benzamide?
The InChIKey is MTGNHOSDDXOPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-15-6-5-13-11(14)8-3-4-10(16-2)9(12)7-8/h3-4,7H,5-6,12H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-4-methoxy-N-(2-methoxyethyl)benzamide?
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide has a molecular weight of 224.26 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 16772972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).