3-amino-2-[2-ethoxyethyl(ethyl)amino]benzamide

C13H21N3O2 — CID 112578972

IUPAC3-amino-2-[2-ethoxyethyl(ethyl)amino]benzamide
SMILESCCOCCN(CC)c1c(N)cccc1C(N)=O
InChIInChI=1S/C13H21N3O2/c1-3-16(8-9-18-4-2)12-10(13(15)17)6-5-7-11(12)14/h5-7H,3-4,8-9,14H2,1-2H3,(H2,15,17)
InChIKeyPFWDTMZSEBPJJP-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.23
Rot. Bonds7

About 3-amino-2-[2-ethoxyethyl(ethyl)amino]benzamide

3-amino-2-[2-ethoxyethyl(ethyl)amino]benzamide (PubChem CID 112578972) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-amino-2-[2-ethoxyethyl(ethyl)amino]benzamide.

Molecular Properties

Compound Name3-amino-2-[2-ethoxyethyl(ethyl)amino]benzamide
PubChem CID112578972
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-amino-2-[2-ethoxyethyl(ethyl)amino]benzamide
SMILESCCOCCN(CC)c1c(N)cccc1C(N)=O
InChIInChI=1S/C13H21N3O2/c1-3-16(8-9-18-4-2)12-10(13(15)17)6-5-7-11(12)14/h5-7H,3-4,8-9,14H2,1-2H3,(H2,15,17)
InChIKeyPFWDTMZSEBPJJP-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
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-2-[2-methoxyethyl(3-methoxypropyl)amino]benzamide
CID 115934555
3-amino-2-[bis(2-hydroxyethyl)amino]benzamide
CID 112578295
1-[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone
CID 114058464
3-chloro-2-[2-ethoxyethyl(ethyl)amino]benzoic acid
CID 114067329
3-amino-2-[bis(2-methylpropyl)amino]benzamide
CID 112578297
3-amino-2-(N-ethylanilino)benzamide
CID 112577869
3-amino-2-[3-(diethylamino)propyl-ethylamino]benzoic acid
CID 102995981
methyl 3-amino-2-[(2-amino-2-oxoethyl)-ethylamino]benzoate
CID 103103931
3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]benzamide
CID 115934610
2-[bis(2-ethoxyethyl)amino]benzenecarbothioamide
CID 82966083
3-amino-2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]benzamide
CID 112578601
5-amino-3-chloro-2-[2-ethoxyethyl(ethyl)amino]benzoic acid
CID 107195901

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-ethoxyethyl(ethyl)amino]benzamide?
The IUPAC name of 3-amino-2-[2-ethoxyethyl(ethyl)amino]benzamide (CID 112578972) is 3-amino-2-[2-ethoxyethyl(ethyl)amino]benzamide.
What is the SMILES notation for 3-amino-2-[2-ethoxyethyl(ethyl)amino]benzamide?
The canonical SMILES for 3-amino-2-[2-ethoxyethyl(ethyl)amino]benzamide is CCOCCN(CC)c1c(N)cccc1C(N)=O.
What is the InChIKey of 3-amino-2-[2-ethoxyethyl(ethyl)amino]benzamide?
The InChIKey is PFWDTMZSEBPJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-16(8-9-18-4-2)12-10(13(15)17)6-5-7-11(12)14/h5-7H,3-4,8-9,14H2,1-2H3,(H2,15,17).
What are the key properties of 3-amino-2-[2-ethoxyethyl(ethyl)amino]benzamide?
3-amino-2-[2-ethoxyethyl(ethyl)amino]benzamide has a molecular weight of 251.33 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-ethoxyethyl(ethyl)amino]benzamide is sourced from PubChem (CID 112578972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).