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

C13H19N3O2 — CID 82749051

IUPAC2-amino-5-[methyl-(2-methyloxolan-3-yl)amino]benzamide
SMILESCC1OCCC1N(C)c1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C13H19N3O2/c1-8-12(5-6-18-8)16(2)9-3-4-11(14)10(7-9)13(15)17/h3-4,7-8,12H,5-6,14H2,1-2H3,(H2,15,17)
InChIKeyQWQOWCAONLSOKV-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.98
Rot. Bonds3

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

2-amino-5-[methyl-(2-methyloxolan-3-yl)amino]benzamide (PubChem CID 82749051) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-amino-5-[methyl-(2-methyloxolan-3-yl)amino]benzamide.

Molecular Properties

Compound Name2-amino-5-[methyl-(2-methyloxolan-3-yl)amino]benzamide
PubChem CID82749051
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-amino-5-[methyl-(2-methyloxolan-3-yl)amino]benzamide
SMILESCC1OCCC1N(C)c1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C13H19N3O2/c1-8-12(5-6-18-8)16(2)9-3-4-11(14)10(7-9)13(15)17/h3-4,7-8,12H,5-6,14H2,1-2H3,(H2,15,17)
InChIKeyQWQOWCAONLSOKV-UHFFFAOYSA-N
XLogP0.98
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-[methyl(oxolan-3-yl)amino]benzamide
CID 82749581
2-amino-5-[cyclopentyl(methyl)amino]benzamide
CID 61307306
2-amino-5-[cycloheptyl(methyl)amino]benzamide
CID 61305211
2-amino-3-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]benzoic acid
CID 82740828
2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82742095
4-[methyl-(2-methyloxolan-3-yl)amino]-2-(trifluoromethyl)benzoic acid
CID 82736917
3-N-methyl-3-N-(2-methyloxolan-3-yl)benzene-1,3-diamine
CID 82741229
5-amino-2-[methyl-(2-methyloxolan-3-yl)amino]benzoic acid
CID 82749270
ethyl 2-amino-3-[methyl-(2-methyloxolan-3-yl)amino]benzoate
CID 82747937
6-chloro-2-N-methyl-2-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine
CID 82741233
2-amino-5-[methyl-(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid
CID 114195297
N'-hydroxy-2-[methyl-(2-methyloxolan-3-yl)amino]benzenecarboximidamide
CID 82739305

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[methyl-(2-methyloxolan-3-yl)amino]benzamide?
The IUPAC name of 2-amino-5-[methyl-(2-methyloxolan-3-yl)amino]benzamide (CID 82749051) is 2-amino-5-[methyl-(2-methyloxolan-3-yl)amino]benzamide.
What is the SMILES notation for 2-amino-5-[methyl-(2-methyloxolan-3-yl)amino]benzamide?
The canonical SMILES for 2-amino-5-[methyl-(2-methyloxolan-3-yl)amino]benzamide is CC1OCCC1N(C)c1ccc(N)c(C(N)=O)c1.
What is the InChIKey of 2-amino-5-[methyl-(2-methyloxolan-3-yl)amino]benzamide?
The InChIKey is QWQOWCAONLSOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-12(5-6-18-8)16(2)9-3-4-11(14)10(7-9)13(15)17/h3-4,7-8,12H,5-6,14H2,1-2H3,(H2,15,17).
What are the key properties of 2-amino-5-[methyl-(2-methyloxolan-3-yl)amino]benzamide?
2-amino-5-[methyl-(2-methyloxolan-3-yl)amino]benzamide has a molecular weight of 249.31 g/mol, XLogP of 0.98, 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-(2-methyloxolan-3-yl)amino]benzamide is sourced from PubChem (CID 82749051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).