3-amino-4-[[2-ethoxyethyl(methyl)amino]methyl]benzamide

C13H21N3O2 — CID 81052658

IUPAC3-amino-4-[[2-ethoxyethyl(methyl)amino]methyl]benzamide
SMILESCCOCCN(C)Cc1ccc(C(N)=O)cc1N
InChIInChI=1S/C13H21N3O2/c1-3-18-7-6-16(2)9-11-5-4-10(13(15)17)8-12(11)14/h4-5,8H,3,6-7,9,14H2,1-2H3,(H2,15,17)
InChIKeyRXRFJURKKUHJTI-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.84
Rot. Bonds7

About 3-amino-4-[[2-ethoxyethyl(methyl)amino]methyl]benzamide

3-amino-4-[[2-ethoxyethyl(methyl)amino]methyl]benzamide (PubChem CID 81052658) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-amino-4-[[2-ethoxyethyl(methyl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[[2-ethoxyethyl(methyl)amino]methyl]benzamide
PubChem CID81052658
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-amino-4-[[2-ethoxyethyl(methyl)amino]methyl]benzamide
SMILESCCOCCN(C)Cc1ccc(C(N)=O)cc1N
InChIInChI=1S/C13H21N3O2/c1-3-18-7-6-16(2)9-11-5-4-10(13(15)17)8-12(11)14/h4-5,8H,3,6-7,9,14H2,1-2H3,(H2,15,17)
InChIKeyRXRFJURKKUHJTI-UHFFFAOYSA-N
XLogP0.84
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.84
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-[[methyl(pentyl)amino]methyl]benzamide
CID 43376020
3-amino-4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzamide
CID 43376086
3-amino-4-ethylbenzamide
CID 19977641
3-amino-4-(diethylaminomethyl)benzamide
CID 43375439
2-[[2-ethoxyethyl(methyl)amino]methyl]aniline
CID 43458606
3-amino-4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]benzamide
CID 43376075
3-amino-4-[[(3-fluorophenyl)methyl-methylamino]methyl]benzamide
CID 43375822
4-bromo-3-[[2-ethoxyethyl(methyl)amino]methyl]aniline
CID 115297795
3-amino-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzamide
CID 63233133
3-amino-4-(heptoxymethyl)benzamide
CID 43376790
3-amino-N-(2-ethoxyethyl)-N,4-dimethylbenzamide
CID 81052864
4-[[(2-aminophenyl)methyl-methylamino]methyl]-3-fluorobenzamide
CID 43458579

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[2-ethoxyethyl(methyl)amino]methyl]benzamide?
The IUPAC name of 3-amino-4-[[2-ethoxyethyl(methyl)amino]methyl]benzamide (CID 81052658) is 3-amino-4-[[2-ethoxyethyl(methyl)amino]methyl]benzamide.
What is the SMILES notation for 3-amino-4-[[2-ethoxyethyl(methyl)amino]methyl]benzamide?
The canonical SMILES for 3-amino-4-[[2-ethoxyethyl(methyl)amino]methyl]benzamide is CCOCCN(C)Cc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-[[2-ethoxyethyl(methyl)amino]methyl]benzamide?
The InChIKey is RXRFJURKKUHJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-18-7-6-16(2)9-11-5-4-10(13(15)17)8-12(11)14/h4-5,8H,3,6-7,9,14H2,1-2H3,(H2,15,17).
What are the key properties of 3-amino-4-[[2-ethoxyethyl(methyl)amino]methyl]benzamide?
3-amino-4-[[2-ethoxyethyl(methyl)amino]methyl]benzamide has a molecular weight of 251.33 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[2-ethoxyethyl(methyl)amino]methyl]benzamide is sourced from PubChem (CID 81052658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).