3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzamide

C12H19N3O3 — CID 82989279

IUPAC3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCCOCCO)c(N)c1
InChIInChI=1S/C12H19N3O3/c1-14-12(17)9-2-3-11(10(13)8-9)15-4-6-18-7-5-16/h2-3,8,15-16H,4-7,13H2,1H3,(H,14,17)
InChIKeyHOLJLJDFVMIUOJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.05
Rot. Bonds7

About 3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzamide

3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzamide (PubChem CID 82989279) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzamide
PubChem CID82989279
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCCOCCO)c(N)c1
InChIInChI=1S/C12H19N3O3/c1-14-12(17)9-2-3-11(10(13)8-9)15-4-6-18-7-5-16/h2-3,8,15-16H,4-7,13H2,1H3,(H,14,17)
InChIKeyHOLJLJDFVMIUOJ-UHFFFAOYSA-N
XLogP0.05
TPSA96.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[2-(2-amino-2-oxoethoxy)ethylamino]-N-methylbenzamide
CID 106234375
3-amino-4-(2-cyclopropylethylamino)-N-methylbenzamide
CID 83000366
3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzenesulfonamide
CID 62498772
3-amino-N-ethyl-4-[2-(3-methylbutoxy)ethylamino]benzamide
CID 82990131
3-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-methylbenzamide
CID 82999428
3-amino-4-[2-[4-carbamoyl-2-(methylamino)anilino]ethylamino]-N-methylbenzamide
CID 156790437
ethyl 3-amino-4-(2-ethoxyethylamino)benzoate
CID 61313836
3-amino-4-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide
CID 107231481
3-amino-N-methyl-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 82988789
3-amino-4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-N-methylbenzamide
CID 82999869
3-amino-N-methyl-4-[2-(4-methylpiperazin-1-yl)ethylamino]benzamide
CID 82991446
4-amino-N-methyl-3-(3-propoxypropylamino)benzamide
CID 82940087

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzamide?
The IUPAC name of 3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzamide (CID 82989279) is 3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzamide?
The canonical SMILES for 3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzamide is CNC(=O)c1ccc(NCCOCCO)c(N)c1.
What is the InChIKey of 3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzamide?
The InChIKey is HOLJLJDFVMIUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-14-12(17)9-2-3-11(10(13)8-9)15-4-6-18-7-5-16/h2-3,8,15-16H,4-7,13H2,1H3,(H,14,17).
What are the key properties of 3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzamide?
3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzamide has a molecular weight of 253.30 g/mol, XLogP of 0.05, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzamide is sourced from PubChem (CID 82989279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).