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

C10H14N4O2 — CID 112578046

IUPAC3-amino-2-[[2-(methylamino)-2-oxoethyl]amino]benzamide
SMILESCNC(=O)CNc1c(N)cccc1C(N)=O
InChIInChI=1S/C10H14N4O2/c1-13-8(15)5-14-9-6(10(12)16)3-2-4-7(9)11/h2-4,14H,5,11H2,1H3,(H2,12,16)(H,13,15)
InChIKeyYUKFHOYTQJKIFP-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.47
Rot. Bonds4

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

3-amino-2-[[2-(methylamino)-2-oxoethyl]amino]benzamide (PubChem CID 112578046) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-amino-2-[[2-(methylamino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name3-amino-2-[[2-(methylamino)-2-oxoethyl]amino]benzamide
PubChem CID112578046
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name3-amino-2-[[2-(methylamino)-2-oxoethyl]amino]benzamide
SMILESCNC(=O)CNc1c(N)cccc1C(N)=O
InChIInChI=1S/C10H14N4O2/c1-13-8(15)5-14-9-6(10(12)16)3-2-4-7(9)11/h2-4,14H,5,11H2,1H3,(H2,12,16)(H,13,15)
InChIKeyYUKFHOYTQJKIFP-UHFFFAOYSA-N
XLogP-0.47
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-2-[[2-(methylamino)-2-oxoethyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-amino-2-[[2-(methylamino)-2-oxoethyl]amino]benzoate
CID 112578045
3-amino-2-[[2-(diethylamino)-2-oxoethyl]amino]benzamide
CID 113406427
2-(2-carbamothioyl-6-methylanilino)-N-methylacetamide
CID 107107850
3-amino-2-[(5-methylfuran-2-yl)methylamino]benzamide
CID 112578801
3-amino-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43310303
3-amino-2-[(2-methylcyclohexyl)methylamino]benzamide
CID 112578623
3-amino-2-(5,5,5-trifluoropentylamino)benzamide
CID 112579360
3-amino-2-[2-(furan-2-yl)ethylamino]benzamide
CID 112578443
3-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzamide
CID 112578680
3-amino-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 112578762
3-amino-2-(2-pyrrolidin-1-ylethylamino)benzamide
CID 112578815
3-amino-2-(oxan-4-ylmethylamino)benzamide
CID 112578986

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[[2-(methylamino)-2-oxoethyl]amino]benzamide?
The IUPAC name of 3-amino-2-[[2-(methylamino)-2-oxoethyl]amino]benzamide (CID 112578046) is 3-amino-2-[[2-(methylamino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 3-amino-2-[[2-(methylamino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for 3-amino-2-[[2-(methylamino)-2-oxoethyl]amino]benzamide is CNC(=O)CNc1c(N)cccc1C(N)=O.
What is the InChIKey of 3-amino-2-[[2-(methylamino)-2-oxoethyl]amino]benzamide?
The InChIKey is YUKFHOYTQJKIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-13-8(15)5-14-9-6(10(12)16)3-2-4-7(9)11/h2-4,14H,5,11H2,1H3,(H2,12,16)(H,13,15).
What are the key properties of 3-amino-2-[[2-(methylamino)-2-oxoethyl]amino]benzamide?
3-amino-2-[[2-(methylamino)-2-oxoethyl]amino]benzamide has a molecular weight of 222.25 g/mol, XLogP of -0.47, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[[2-(methylamino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 112578046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).