3-[2-(diethylamino)ethylamino]benzamide

C13H21N3O — CID 107811316

IUPAC3-[2-(diethylamino)ethylamino]benzamide
SMILESCCN(CC)CCNc1cccc(C(N)=O)c1
InChIInChI=1S/C13H21N3O/c1-3-16(4-2)9-8-15-12-7-5-6-11(10-12)13(14)17/h5-7,10,15H,3-4,8-9H2,1-2H3,(H2,14,17)
InChIKeyAXDOJMSRKKRIRV-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.54
Rot. Bonds7

About 3-[2-(diethylamino)ethylamino]benzamide

3-[2-(diethylamino)ethylamino]benzamide (PubChem CID 107811316) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethylamino]benzamide.

Molecular Properties

Compound Name3-[2-(diethylamino)ethylamino]benzamide
PubChem CID107811316
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-[2-(diethylamino)ethylamino]benzamide
SMILESCCN(CC)CCNc1cccc(C(N)=O)c1
InChIInChI=1S/C13H21N3O/c1-3-16(4-2)9-8-15-12-7-5-6-11(10-12)13(14)17/h5-7,10,15H,3-4,8-9H2,1-2H3,(H2,14,17)
InChIKeyAXDOJMSRKKRIRV-UHFFFAOYSA-N
XLogP1.54
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-amino-3-oxopropyl)amino]benzamide
CID 107811145
ethyl 3-(3-carbamoylanilino)propanoate
CID 114003548
ethane;3-[2-[ethyl-(3-hydroxy-8-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethylamino]benzamide
CID 142041158
3-[3-(diethylamino)propyl]benzamide
CID 175291972
3-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide
CID 119847657
3-[3-(diethylamino)propylamino]phenol
CID 83813650
ethane;3-(methylamino)benzamide
CID 142071023
3-(2-propan-2-ylsulfonylethylamino)benzamide
CID 114003703
ethyl 6-(3-carbamoylanilino)hexanoate
CID 107808980
propyl 3-[2-(dimethylamino)ethylamino]benzoate
CID 82096552
3-(methylamino)benzamide
CID 18727714
N'-ethyl-N-(3-methylphenyl)-N'-propylethane-1,2-diamine
CID 62575820

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethylamino]benzamide?
The IUPAC name of 3-[2-(diethylamino)ethylamino]benzamide (CID 107811316) is 3-[2-(diethylamino)ethylamino]benzamide.
What is the SMILES notation for 3-[2-(diethylamino)ethylamino]benzamide?
The canonical SMILES for 3-[2-(diethylamino)ethylamino]benzamide is CCN(CC)CCNc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[2-(diethylamino)ethylamino]benzamide?
The InChIKey is AXDOJMSRKKRIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-16(4-2)9-8-15-12-7-5-6-11(10-12)13(14)17/h5-7,10,15H,3-4,8-9H2,1-2H3,(H2,14,17).
What are the key properties of 3-[2-(diethylamino)ethylamino]benzamide?
3-[2-(diethylamino)ethylamino]benzamide has a molecular weight of 235.33 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethylamino]benzamide is sourced from PubChem (CID 107811316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).