3-amino-2-[[2-(diethylamino)-2-oxoethyl]amino]benzamide

C13H20N4O2 — CID 113406427

IUPAC3-amino-2-[[2-(diethylamino)-2-oxoethyl]amino]benzamide
SMILESCCN(CC)C(=O)CNc1c(N)cccc1C(N)=O
InChIInChI=1S/C13H20N4O2/c1-3-17(4-2)11(18)8-16-12-9(13(15)19)6-5-7-10(12)14/h5-7,16H,3-4,8,14H2,1-2H3,(H2,15,19)
InChIKeyYEMKQCIPXGIAOW-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.65
Rot. Bonds6

About 3-amino-2-[[2-(diethylamino)-2-oxoethyl]amino]benzamide

3-amino-2-[[2-(diethylamino)-2-oxoethyl]amino]benzamide (PubChem CID 113406427) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-amino-2-[[2-(diethylamino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name3-amino-2-[[2-(diethylamino)-2-oxoethyl]amino]benzamide
PubChem CID113406427
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-amino-2-[[2-(diethylamino)-2-oxoethyl]amino]benzamide
SMILESCCN(CC)C(=O)CNc1c(N)cccc1C(N)=O
InChIInChI=1S/C13H20N4O2/c1-3-17(4-2)11(18)8-16-12-9(13(15)19)6-5-7-10(12)14/h5-7,16H,3-4,8,14H2,1-2H3,(H2,15,19)
InChIKeyYEMKQCIPXGIAOW-UHFFFAOYSA-N
XLogP0.65
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-[[2-(methylamino)-2-oxoethyl]amino]benzamide
CID 112578046
3-amino-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 112578762
3-amino-2-(3-ethoxyanilino)benzamide
CID 115934510
3-amino-2-[(5-methylfuran-2-yl)methylamino]benzamide
CID 112578801
3-amino-2-[4-[methyl(propan-2-yl)amino]butylamino]benzamide
CID 115934739
3-amino-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzamide
CID 114113192
3-amino-2-(pentan-2-ylamino)benzamide
CID 112577695
2-[(6-carbamothioyl-2-pyridinyl)amino]-N,N-diethylacetamide
CID 113406261
3-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
CID 114144102
3-amino-2-[(2-methylcyclohexyl)methylamino]benzamide
CID 112578623
3-amino-2-(5,5,5-trifluoropentylamino)benzamide
CID 112579360
2-amino-3-[2-(diethylamino)-2-oxoethyl]sulfanylbenzamide
CID 114234242

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[[2-(diethylamino)-2-oxoethyl]amino]benzamide?
The IUPAC name of 3-amino-2-[[2-(diethylamino)-2-oxoethyl]amino]benzamide (CID 113406427) is 3-amino-2-[[2-(diethylamino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 3-amino-2-[[2-(diethylamino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for 3-amino-2-[[2-(diethylamino)-2-oxoethyl]amino]benzamide is CCN(CC)C(=O)CNc1c(N)cccc1C(N)=O.
What is the InChIKey of 3-amino-2-[[2-(diethylamino)-2-oxoethyl]amino]benzamide?
The InChIKey is YEMKQCIPXGIAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-17(4-2)11(18)8-16-12-9(13(15)19)6-5-7-10(12)14/h5-7,16H,3-4,8,14H2,1-2H3,(H2,15,19).
What are the key properties of 3-amino-2-[[2-(diethylamino)-2-oxoethyl]amino]benzamide?
3-amino-2-[[2-(diethylamino)-2-oxoethyl]amino]benzamide has a molecular weight of 264.33 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[[2-(diethylamino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 113406427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).