5-amino-2-[(2-methoxy-2-methylpropyl)amino]benzamide

C12H19N3O2 — CID 104765046

IUPAC5-amino-2-[(2-methoxy-2-methylpropyl)amino]benzamide
SMILESCOC(C)(C)CNc1ccc(N)cc1C(N)=O
InChIInChI=1S/C12H19N3O2/c1-12(2,17-3)7-15-10-5-4-8(13)6-9(10)11(14)16/h4-6,15H,7,13H2,1-3H3,(H2,14,16)
InChIKeyXTOMQVGHACPYAU-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.20
Rot. Bonds5

About 5-amino-2-[(2-methoxy-2-methylpropyl)amino]benzamide

5-amino-2-[(2-methoxy-2-methylpropyl)amino]benzamide (PubChem CID 104765046) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-amino-2-[(2-methoxy-2-methylpropyl)amino]benzamide.

Molecular Properties

Compound Name5-amino-2-[(2-methoxy-2-methylpropyl)amino]benzamide
PubChem CID104765046
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-amino-2-[(2-methoxy-2-methylpropyl)amino]benzamide
SMILESCOC(C)(C)CNc1ccc(N)cc1C(N)=O
InChIInChI=1S/C12H19N3O2/c1-12(2,17-3)7-15-10-5-4-8(13)6-9(10)11(14)16/h4-6,15H,7,13H2,1-3H3,(H2,14,16)
InChIKeyXTOMQVGHACPYAU-UHFFFAOYSA-N
XLogP1.20
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.20
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

4-amino-N-ethyl-2-[(2-methoxy-2-methylpropyl)amino]benzamide
CID 104758824
2-(2-acetamidoethylamino)-5-aminobenzamide
CID 61306770
5-amino-2-(3-methylbutylamino)benzamide
CID 61306874
5-amino-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzamide
CID 114516569
5-amino-2-[(2-methoxy-4-pyridinyl)methylamino]benzamide
CID 62990349
5-amino-2-(pentan-3-ylamino)benzamide
CID 61311719
2-[(2-amino-2-methylpropyl)amino]-5-fluorobenzamide
CID 115303646
5-amino-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide
CID 63330742
5-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]benzamide
CID 105420168
5-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
CID 106106264
5-amino-2-(butan-2-ylamino)benzamide
CID 61311336
5-amino-2-(thiophen-3-ylmethylamino)benzamide
CID 63244338

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-methoxy-2-methylpropyl)amino]benzamide?
The IUPAC name of 5-amino-2-[(2-methoxy-2-methylpropyl)amino]benzamide (CID 104765046) is 5-amino-2-[(2-methoxy-2-methylpropyl)amino]benzamide.
What is the SMILES notation for 5-amino-2-[(2-methoxy-2-methylpropyl)amino]benzamide?
The canonical SMILES for 5-amino-2-[(2-methoxy-2-methylpropyl)amino]benzamide is COC(C)(C)CNc1ccc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-[(2-methoxy-2-methylpropyl)amino]benzamide?
The InChIKey is XTOMQVGHACPYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,17-3)7-15-10-5-4-8(13)6-9(10)11(14)16/h4-6,15H,7,13H2,1-3H3,(H2,14,16).
What are the key properties of 5-amino-2-[(2-methoxy-2-methylpropyl)amino]benzamide?
5-amino-2-[(2-methoxy-2-methylpropyl)amino]benzamide has a molecular weight of 237.30 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-methoxy-2-methylpropyl)amino]benzamide is sourced from PubChem (CID 104765046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).