3-amino-5-tert-butyl-2-methoxybenzamide

C12H18N2O2 — CID 50882281

IUPAC3-amino-5-tert-butyl-2-methoxybenzamide
SMILESCOc1c(N)cc(C(C)(C)C)cc1C(N)=O
InChIInChI=1S/C12H18N2O2/c1-12(2,3)7-5-8(11(14)15)10(16-4)9(13)6-7/h5-6H,13H2,1-4H3,(H2,14,15)
InChIKeyNOMATNAAIHROAR-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.67
Rot. Bonds2

About 3-amino-5-tert-butyl-2-methoxybenzamide

3-amino-5-tert-butyl-2-methoxybenzamide (PubChem CID 50882281) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-5-tert-butyl-2-methoxybenzamide.

Molecular Properties

Compound Name3-amino-5-tert-butyl-2-methoxybenzamide
PubChem CID50882281
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-amino-5-tert-butyl-2-methoxybenzamide
SMILESCOc1c(N)cc(C(C)(C)C)cc1C(N)=O
InChIInChI=1S/C12H18N2O2/c1-12(2,3)7-5-8(11(14)15)10(16-4)9(13)6-7/h5-6H,13H2,1-4H3,(H2,14,15)
InChIKeyNOMATNAAIHROAR-UHFFFAOYSA-N
XLogP1.67
TPSA78.34 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 ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-tert-butyl-2-methoxybenzamide?
The IUPAC name of 3-amino-5-tert-butyl-2-methoxybenzamide (CID 50882281) is 3-amino-5-tert-butyl-2-methoxybenzamide.
What is the SMILES notation for 3-amino-5-tert-butyl-2-methoxybenzamide?
The canonical SMILES for 3-amino-5-tert-butyl-2-methoxybenzamide is COc1c(N)cc(C(C)(C)C)cc1C(N)=O.
What is the InChIKey of 3-amino-5-tert-butyl-2-methoxybenzamide?
The InChIKey is NOMATNAAIHROAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2,3)7-5-8(11(14)15)10(16-4)9(13)6-7/h5-6H,13H2,1-4H3,(H2,14,15).
What are the key properties of 3-amino-5-tert-butyl-2-methoxybenzamide?
3-amino-5-tert-butyl-2-methoxybenzamide has a molecular weight of 222.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-tert-butyl-2-methoxybenzamide is sourced from PubChem (CID 50882281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).