2-amino-5-[methyl(oxolan-3-yl)amino]benzamide

C12H17N3O2 — CID 82749581

IUPAC2-amino-5-[methyl(oxolan-3-yl)amino]benzamide
SMILESCN(c1ccc(N)c(C(N)=O)c1)C1CCOC1
InChIInChI=1S/C12H17N3O2/c1-15(9-4-5-17-7-9)8-2-3-11(13)10(6-8)12(14)16/h2-3,6,9H,4-5,7,13H2,1H3,(H2,14,16)
InChIKeyGSBWPKZYLHTRJP-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.59
Rot. Bonds3

About 2-amino-5-[methyl(oxolan-3-yl)amino]benzamide

2-amino-5-[methyl(oxolan-3-yl)amino]benzamide (PubChem CID 82749581) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-amino-5-[methyl(oxolan-3-yl)amino]benzamide.

Molecular Properties

Compound Name2-amino-5-[methyl(oxolan-3-yl)amino]benzamide
PubChem CID82749581
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-amino-5-[methyl(oxolan-3-yl)amino]benzamide
SMILESCN(c1ccc(N)c(C(N)=O)c1)C1CCOC1
InChIInChI=1S/C12H17N3O2/c1-15(9-4-5-17-7-9)8-2-3-11(13)10(6-8)12(14)16/h2-3,6,9H,4-5,7,13H2,1H3,(H2,14,16)
InChIKeyGSBWPKZYLHTRJP-UHFFFAOYSA-N
XLogP0.59
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[methyl(oxolan-3-yl)amino]benzamide?
The IUPAC name of 2-amino-5-[methyl(oxolan-3-yl)amino]benzamide (CID 82749581) is 2-amino-5-[methyl(oxolan-3-yl)amino]benzamide.
What is the SMILES notation for 2-amino-5-[methyl(oxolan-3-yl)amino]benzamide?
The canonical SMILES for 2-amino-5-[methyl(oxolan-3-yl)amino]benzamide is CN(c1ccc(N)c(C(N)=O)c1)C1CCOC1.
What is the InChIKey of 2-amino-5-[methyl(oxolan-3-yl)amino]benzamide?
The InChIKey is GSBWPKZYLHTRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15(9-4-5-17-7-9)8-2-3-11(13)10(6-8)12(14)16/h2-3,6,9H,4-5,7,13H2,1H3,(H2,14,16).
What are the key properties of 2-amino-5-[methyl(oxolan-3-yl)amino]benzamide?
2-amino-5-[methyl(oxolan-3-yl)amino]benzamide has a molecular weight of 235.29 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[methyl(oxolan-3-yl)amino]benzamide is sourced from PubChem (CID 82749581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).