2-amino-N-methoxy-6-methyl-N-(2-methylpropyl)benzamide

C13H20N2O2 — CID 114276922

IUPAC2-amino-N-methoxy-6-methyl-N-(2-methylpropyl)benzamide
SMILESCON(CC(C)C)C(=O)c1c(C)cccc1N
InChIInChI=1S/C13H20N2O2/c1-9(2)8-15(17-4)13(16)12-10(3)6-5-7-11(12)14/h5-7,9H,8,14H2,1-4H3
InChIKeyIJSNYGGHZQLJOJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.24
Rot. Bonds4

About 2-amino-N-methoxy-6-methyl-N-(2-methylpropyl)benzamide

2-amino-N-methoxy-6-methyl-N-(2-methylpropyl)benzamide (PubChem CID 114276922) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-N-methoxy-6-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-amino-N-methoxy-6-methyl-N-(2-methylpropyl)benzamide
PubChem CID114276922
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-N-methoxy-6-methyl-N-(2-methylpropyl)benzamide
SMILESCON(CC(C)C)C(=O)c1c(C)cccc1N
InChIInChI=1S/C13H20N2O2/c1-9(2)8-15(17-4)13(16)12-10(3)6-5-7-11(12)14/h5-7,9H,8,14H2,1-4H3
InChIKeyIJSNYGGHZQLJOJ-UHFFFAOYSA-N
XLogP2.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
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

4-methylpentyl 2-amino-6-methylbenzoate
CID 63446716
2-amino-N,6-dimethyl-N-pentan-3-ylbenzamide
CID 43570574
2-amino-6-methyl-N-(4-methylpentyl)benzamide
CID 61125190
methyl 2-amino-6-[[bis(2-methylpropyl)amino]methyl]benzoate
CID 104824380
2-amino-N-ethyl-6-methyl-N-propylbenzamide
CID 43268247
methyl 2-[(2-amino-6-methylbenzoyl)amino]-3-methylbutanoate
CID 43451998
2-amino-6-methyl-N-(7-methyloctyl)benzamide
CID 107814563
3-amino-5-bromo-N-methoxy-2-methyl-N-(2-methylpropyl)benzamide
CID 114276923
2-amino-N-(2-hydroxy-4-methylpentyl)-6-methylbenzamide
CID 107150571
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methylbenzoate
CID 61320786
2-propan-2-yloxyethyl 2-amino-6-methylbenzoate
CID 61308511
2-amino-N-(3-methoxypropyl)-6-methylbenzamide
CID 43153249

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methoxy-6-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-amino-N-methoxy-6-methyl-N-(2-methylpropyl)benzamide (CID 114276922) is 2-amino-N-methoxy-6-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-amino-N-methoxy-6-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-amino-N-methoxy-6-methyl-N-(2-methylpropyl)benzamide is CON(CC(C)C)C(=O)c1c(C)cccc1N.
What is the InChIKey of 2-amino-N-methoxy-6-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is IJSNYGGHZQLJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)8-15(17-4)13(16)12-10(3)6-5-7-11(12)14/h5-7,9H,8,14H2,1-4H3.
What are the key properties of 2-amino-N-methoxy-6-methyl-N-(2-methylpropyl)benzamide?
2-amino-N-methoxy-6-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 236.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methoxy-6-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 114276922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).