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

C13H20N4O2 — CID 112578601

IUPAC3-amino-2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]benzamide
SMILESCC(C)CN(CC(N)=O)c1c(N)cccc1C(N)=O
InChIInChI=1S/C13H20N4O2/c1-8(2)6-17(7-11(15)18)12-9(13(16)19)4-3-5-10(12)14/h3-5,8H,6-7,14H2,1-2H3,(H2,15,18)(H2,16,19)
InChIKeyWXVBJHLZCSOEDM-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.32
Rot. Bonds6

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

3-amino-2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]benzamide (PubChem CID 112578601) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-amino-2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]benzamide.

Molecular Properties

Compound Name3-amino-2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]benzamide
PubChem CID112578601
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-amino-2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]benzamide
SMILESCC(C)CN(CC(N)=O)c1c(N)cccc1C(N)=O
InChIInChI=1S/C13H20N4O2/c1-8(2)6-17(7-11(15)18)12-9(13(16)19)4-3-5-10(12)14/h3-5,8H,6-7,14H2,1-2H3,(H2,15,18)(H2,16,19)
InChIKeyWXVBJHLZCSOEDM-UHFFFAOYSA-N
XLogP0.32
TPSA115.44 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 ≤ 50.32
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-[bis(2-methylpropyl)amino]benzamide
CID 112578297
3-amino-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]benzamide
CID 112578538
2-[6-amino-2,3-difluoro-N-(2-methylpropyl)anilino]acetamide
CID 62533871
3-amino-2-[bis(2-hydroxyethyl)amino]benzamide
CID 112578295
3-amino-2-[(2-amino-2-oxoethyl)-butylamino]benzoic acid
CID 112578598
methyl 3-amino-2-[(2-amino-2-oxoethyl)-ethylamino]benzoate
CID 103103931
2-(3-amino-N-(2-amino-2-oxoethyl)-2-methylanilino)acetamide
CID 63061902
3-[ethyl(2-methylpropyl)amino]-2-methylbenzamide
CID 154376179
3-amino-2-[2-ethoxyethyl(ethyl)amino]benzamide
CID 112578972
3-amino-2-[2-methoxyethyl(3-methoxypropyl)amino]benzamide
CID 115934555
3-amino-4-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]benzoic acid
CID 55003908
3-amino-2-(N-ethylanilino)benzamide
CID 112577869

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]benzamide?
The IUPAC name of 3-amino-2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]benzamide (CID 112578601) is 3-amino-2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]benzamide.
What is the SMILES notation for 3-amino-2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]benzamide?
The canonical SMILES for 3-amino-2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]benzamide is CC(C)CN(CC(N)=O)c1c(N)cccc1C(N)=O.
What is the InChIKey of 3-amino-2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]benzamide?
The InChIKey is WXVBJHLZCSOEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8(2)6-17(7-11(15)18)12-9(13(16)19)4-3-5-10(12)14/h3-5,8H,6-7,14H2,1-2H3,(H2,15,18)(H2,16,19).
What are the key properties of 3-amino-2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]benzamide?
3-amino-2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]benzamide has a molecular weight of 264.33 g/mol, XLogP of 0.32, 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-amino-2-oxoethyl)-(2-methylpropyl)amino]benzamide is sourced from PubChem (CID 112578601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).