3-amino-4-[2-(dimethylamino)ethoxy]-N-methylbenzamide

C12H19N3O2 — CID 79021333

IUPAC3-amino-4-[2-(dimethylamino)ethoxy]-N-methylbenzamide
SMILESCNC(=O)c1ccc(OCCN(C)C)c(N)c1
InChIInChI=1S/C12H19N3O2/c1-14-12(16)9-4-5-11(10(13)8-9)17-7-6-15(2)3/h4-5,8H,6-7,13H2,1-3H3,(H,14,16)
InChIKeyOWUPYBCSGAHNLL-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.57
Rot. Bonds5

About 3-amino-4-[2-(dimethylamino)ethoxy]-N-methylbenzamide

3-amino-4-[2-(dimethylamino)ethoxy]-N-methylbenzamide (PubChem CID 79021333) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-amino-4-[2-(dimethylamino)ethoxy]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-[2-(dimethylamino)ethoxy]-N-methylbenzamide
PubChem CID79021333
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-amino-4-[2-(dimethylamino)ethoxy]-N-methylbenzamide
SMILESCNC(=O)c1ccc(OCCN(C)C)c(N)c1
InChIInChI=1S/C12H19N3O2/c1-14-12(16)9-4-5-11(10(13)8-9)17-7-6-15(2)3/h4-5,8H,6-7,13H2,1-3H3,(H,14,16)
InChIKeyOWUPYBCSGAHNLL-UHFFFAOYSA-N
XLogP0.57
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-cyclohexyl-4-[2-(dimethylamino)ethoxy]benzamide
CID 82070507
1-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-2-methylpropan-1-one
CID 82064323
3-amino-4-(3,3-dimethylbutoxy)-N-methylbenzamide
CID 82999878
3-amino-4-[3-(dimethylamino)propoxy]-N-(3-methoxypropyl)benzamide
CID 93216844
2-methylpropyl 3-amino-4-[2-(dimethylamino)ethoxy]benzoate
CID 82057399
3-amino-N-[3-(dimethylamino)propyl]-4-pentoxybenzamide
CID 93216779
3-amino-N-[3-(dimethylamino)propyl]-4-[2-(methylamino)-2-oxoethoxy]benzamide
CID 93216830
3-amino-N-methyl-4-[2-(3-methylphenoxy)ethoxy]benzamide
CID 82070425
N-(2-acetamidoethyl)-4-amino-3-[2-(dimethylamino)ethoxy]benzamide
CID 93216697
3-amino-4-[(4-fluorophenyl)methoxy]-N-methylbenzamide
CID 82070222
3-amino-N-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzamide
CID 82999437
4-amino-3-butoxy-N-methylbenzamide
CID 63357456

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[2-(dimethylamino)ethoxy]-N-methylbenzamide?
The IUPAC name of 3-amino-4-[2-(dimethylamino)ethoxy]-N-methylbenzamide (CID 79021333) is 3-amino-4-[2-(dimethylamino)ethoxy]-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-[2-(dimethylamino)ethoxy]-N-methylbenzamide?
The canonical SMILES for 3-amino-4-[2-(dimethylamino)ethoxy]-N-methylbenzamide is CNC(=O)c1ccc(OCCN(C)C)c(N)c1.
What is the InChIKey of 3-amino-4-[2-(dimethylamino)ethoxy]-N-methylbenzamide?
The InChIKey is OWUPYBCSGAHNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-14-12(16)9-4-5-11(10(13)8-9)17-7-6-15(2)3/h4-5,8H,6-7,13H2,1-3H3,(H,14,16).
What are the key properties of 3-amino-4-[2-(dimethylamino)ethoxy]-N-methylbenzamide?
3-amino-4-[2-(dimethylamino)ethoxy]-N-methylbenzamide has a molecular weight of 237.30 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[2-(dimethylamino)ethoxy]-N-methylbenzamide is sourced from PubChem (CID 79021333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).