3-amino-5-tert-butyl-2-methoxy-N-methylbenzamide

C13H20N2O2 — CID 23505820

IUPAC3-amino-5-tert-butyl-2-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(C(C)(C)C)cc(N)c1OC
InChIInChI=1S/C13H20N2O2/c1-13(2,3)8-6-9(12(16)15-4)11(17-5)10(14)7-8/h6-7H,14H2,1-5H3,(H,15,16)
InChIKeyYKPKEPGYWUOGFW-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.93
Rot. Bonds2

About 3-amino-5-tert-butyl-2-methoxy-N-methylbenzamide

3-amino-5-tert-butyl-2-methoxy-N-methylbenzamide (PubChem CID 23505820) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-amino-5-tert-butyl-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-tert-butyl-2-methoxy-N-methylbenzamide
PubChem CID23505820
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-amino-5-tert-butyl-2-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(C(C)(C)C)cc(N)c1OC
InChIInChI=1S/C13H20N2O2/c1-13(2,3)8-6-9(12(16)15-4)11(17-5)10(14)7-8/h6-7H,14H2,1-5H3,(H,15,16)
InChIKeyYKPKEPGYWUOGFW-UHFFFAOYSA-N
XLogP1.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-5-tert-butyl-2-methoxy-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-tert-butyl-2-methoxybenzene-1,3-diamine;ethane;methanethiol
CID 145338891
5-tert-butyl-2-methoxy-3-methylaniline
CID 21353746
5-formyl-2-methoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 125494637
2-hydroxy-3,4,5-trimethoxy-N-methylbenzamide
CID 141383481
3,5-dichloro-2-methoxy-N-methylbenzamide
CID 116827624
5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzothiazole-7-carboxamide
CID 11460127
methyl 2-[5-bromo-2-methoxy-3-(methylcarbamoyl)phenyl]-2-methylpropanoate
CID 126586385
5-tert-butyl-2-chloro-N-methylbenzamide
CID 59485577
(3-amino-5-tert-butyl-2-methoxyphenyl)methanesulfonic acid
CID 150737660
4-amino-2-fluoro-5-methoxy-N-methylbenzamide
CID 89121907
2-amino-5-bromo-4-methoxy-N-methylbenzamide
CID 167259236
5-tert-butyl-3-hydroxy-2-methoxybenzoic acid
CID 117321870

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-tert-butyl-2-methoxy-N-methylbenzamide?
The IUPAC name of 3-amino-5-tert-butyl-2-methoxy-N-methylbenzamide (CID 23505820) is 3-amino-5-tert-butyl-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-amino-5-tert-butyl-2-methoxy-N-methylbenzamide?
The canonical SMILES for 3-amino-5-tert-butyl-2-methoxy-N-methylbenzamide is CNC(=O)c1cc(C(C)(C)C)cc(N)c1OC.
What is the InChIKey of 3-amino-5-tert-butyl-2-methoxy-N-methylbenzamide?
The InChIKey is YKPKEPGYWUOGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,3)8-6-9(12(16)15-4)11(17-5)10(14)7-8/h6-7H,14H2,1-5H3,(H,15,16).
What are the key properties of 3-amino-5-tert-butyl-2-methoxy-N-methylbenzamide?
3-amino-5-tert-butyl-2-methoxy-N-methylbenzamide has a molecular weight of 236.31 g/mol, XLogP of 1.93, 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-methoxy-N-methylbenzamide is sourced from PubChem (CID 23505820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).