3-amino-2-methoxy-5-methylbenzamide

C9H12N2O2 — CID 50882289

IUPAC3-amino-2-methoxy-5-methylbenzamide
SMILESCOc1c(N)cc(C)cc1C(N)=O
InChIInChI=1S/C9H12N2O2/c1-5-3-6(9(11)12)8(13-2)7(10)4-5/h3-4H,10H2,1-2H3,(H2,11,12)
InChIKeyPHUACTQLKJUCSG-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.68
Rot. Bonds2

About 3-amino-2-methoxy-5-methylbenzamide

3-amino-2-methoxy-5-methylbenzamide (PubChem CID 50882289) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-amino-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound Name3-amino-2-methoxy-5-methylbenzamide
PubChem CID50882289
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-amino-2-methoxy-5-methylbenzamide
SMILESCOc1c(N)cc(C)cc1C(N)=O
InChIInChI=1S/C9H12N2O2/c1-5-3-6(9(11)12)8(13-2)7(10)4-5/h3-4H,10H2,1-2H3,(H2,11,12)
InChIKeyPHUACTQLKJUCSG-UHFFFAOYSA-N
XLogP0.68
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-hydroxy-5-methylbenzamide
CID 59564180
2-methoxy-5-methylbenzene-1,3-dicarboxylic acid
CID 59710724
2,3-dimethoxy-5-methylaniline
CID 14263216
1,4,5,8-tetramethoxynaphthalene-2-carboxamide
CID 15362247
3,5-dibromo-2-methoxybenzamide
CID 28665425
2-methoxy-5-methylpyridine-3-carboxamide
CID 123709075
2,5-dimethoxy-4-methylbenzamide
CID 82491295
3-hydroxy-2,5-dimethylbenzamide
CID 119002669
methyl 2,6-diamino-4-methylbenzoate
CID 57005581
3-(1-aminoethyl)-2-methoxy-5-methylaniline
CID 82630793
2-amino-3-bromo-5-methoxy-4-methylbenzamide
CID 172598831
3-chloro-2-methoxy-5-methylbenzoyl chloride
CID 50882225

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-5-methylbenzamide?
The IUPAC name of 3-amino-2-methoxy-5-methylbenzamide (CID 50882289) is 3-amino-2-methoxy-5-methylbenzamide.
What is the SMILES notation for 3-amino-2-methoxy-5-methylbenzamide?
The canonical SMILES for 3-amino-2-methoxy-5-methylbenzamide is COc1c(N)cc(C)cc1C(N)=O.
What is the InChIKey of 3-amino-2-methoxy-5-methylbenzamide?
The InChIKey is PHUACTQLKJUCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-5-3-6(9(11)12)8(13-2)7(10)4-5/h3-4H,10H2,1-2H3,(H2,11,12).
What are the key properties of 3-amino-2-methoxy-5-methylbenzamide?
3-amino-2-methoxy-5-methylbenzamide has a molecular weight of 180.21 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 50882289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).