3-amino-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide

C12H18N2O2 — CID 82724682

IUPAC3-amino-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCc1ccc(C(=O)NOC(C)(C)C)cc1N
InChIInChI=1S/C12H18N2O2/c1-8-5-6-9(7-10(8)13)11(15)14-16-12(2,3)4/h5-7H,13H2,1-4H3,(H,14,15)
InChIKeyZAJCZYOHEVJMDL-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.04
Rot. Bonds2

About 3-amino-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide

3-amino-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide (PubChem CID 82724682) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide
PubChem CID82724682
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-amino-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCc1ccc(C(=O)NOC(C)(C)C)cc1N
InChIInChI=1S/C12H18N2O2/c1-8-5-6-9(7-10(8)13)11(15)14-16-12(2,3)4/h5-7H,13H2,1-4H3,(H,14,15)
InChIKeyZAJCZYOHEVJMDL-UHFFFAOYSA-N
XLogP2.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-tert-butyl-4-methylbenzamide
CID 12607979
tert-butyl N-[3-[(3-amino-4-methylbenzoyl)amino]propyl]carbamate
CID 104932578
ethyl 2-[(3-amino-4-methylbenzoyl)amino]acetate
CID 60810629
3-amino-4-methyl-N-(2-methylbut-3-yn-2-yl)benzamide
CID 63999081
4-chloro-3-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 57437880
ethane;methyl 3-amino-4-methylbenzoate
CID 142981906
methanamine;methyl 3-amino-4-methylbenzoate
CID 164531340
3-amino-N-methoxy-N,4-dimethylbenzamide
CID 43627456
3-amino-N-butan-2-yl-4-methylbenzamide
CID 16771437
3-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-methylbenzamide
CID 54979034
6-methyl-N-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxamide
CID 82723958
2,3-dimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-indole-5-carboxamide
CID 82725792

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide?
The IUPAC name of 3-amino-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide (CID 82724682) is 3-amino-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide.
What is the SMILES notation for 3-amino-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide?
The canonical SMILES for 3-amino-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide is Cc1ccc(C(=O)NOC(C)(C)C)cc1N.
What is the InChIKey of 3-amino-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide?
The InChIKey is ZAJCZYOHEVJMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-5-6-9(7-10(8)13)11(15)14-16-12(2,3)4/h5-7H,13H2,1-4H3,(H,14,15).
What are the key properties of 3-amino-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide?
3-amino-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide has a molecular weight of 222.29 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide is sourced from PubChem (CID 82724682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).