3-amino-4-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide

C11H16N4O2 — CID 43448478

IUPAC3-amino-4-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide
SMILESCN(C)C(=O)CNc1ccc(C(N)=O)cc1N
InChIInChI=1S/C11H16N4O2/c1-15(2)10(16)6-14-9-4-3-7(11(13)17)5-8(9)12/h3-5,14H,6,12H2,1-2H3,(H2,13,17)
InChIKeyBXYHTHWTALBQDN-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.13
Rot. Bonds4

About 3-amino-4-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide

3-amino-4-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide (PubChem CID 43448478) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 3-amino-4-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name3-amino-4-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide
PubChem CID43448478
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name3-amino-4-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide
SMILESCN(C)C(=O)CNc1ccc(C(N)=O)cc1N
InChIInChI=1S/C11H16N4O2/c1-15(2)10(16)6-14-9-4-3-7(11(13)17)5-8(9)12/h3-5,14H,6,12H2,1-2H3,(H2,13,17)
InChIKeyBXYHTHWTALBQDN-UHFFFAOYSA-N
XLogP-0.13
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.13
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-4-[(2-amino-2-oxoethyl)amino]benzamide
CID 43448331
3-amino-4-(ethylamino)benzamide
CID 43448330
3-amino-4-(2,2-dimethylpropylamino)benzamide
CID 61166870
2-(2-aminoanilino)-N,N-dimethylacetamide
CID 43310935
3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzamide
CID 106141828
3-amino-4-[2-[cyclopropyl(methyl)amino]ethylamino]benzamide
CID 62976085
3-amino-4-(3-methylbutylamino)benzamide
CID 43448346
3-amino-4-(3-methylbut-2-enylamino)benzamide
CID 106182418
2-amino-4-bromo-5-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide
CID 114278269
3-amino-4-[2-[cyclopentyl(methyl)amino]ethylamino]benzamide
CID 63314897
2-(4-amino-2-cyanoanilino)-N,N-dimethylacetamide
CID 61296173
3-amino-4-[[4-(2-amino-3-bromoanilino)-2,3-dimethylbut-2-enyl]amino]benzamide
CID 138523815

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide?
The IUPAC name of 3-amino-4-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide (CID 43448478) is 3-amino-4-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 3-amino-4-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for 3-amino-4-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide is CN(C)C(=O)CNc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide?
The InChIKey is BXYHTHWTALBQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-15(2)10(16)6-14-9-4-3-7(11(13)17)5-8(9)12/h3-5,14H,6,12H2,1-2H3,(H2,13,17).
What are the key properties of 3-amino-4-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide?
3-amino-4-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide has a molecular weight of 236.28 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 43448478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).