3-amino-5-methoxy-N-(2-methylbutan-2-yl)benzamide

C13H20N2O2 — CID 78985037

IUPAC3-amino-5-methoxy-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1cc(N)cc(OC)c1
InChIInChI=1S/C13H20N2O2/c1-5-13(2,3)15-12(16)9-6-10(14)8-11(7-9)17-4/h6-8H,5,14H2,1-4H3,(H,15,16)
InChIKeyZKUMQHZLDSJCTD-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.20
Rot. Bonds4

About 3-amino-5-methoxy-N-(2-methylbutan-2-yl)benzamide

3-amino-5-methoxy-N-(2-methylbutan-2-yl)benzamide (PubChem CID 78985037) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-amino-5-methoxy-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-5-methoxy-N-(2-methylbutan-2-yl)benzamide
PubChem CID78985037
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-amino-5-methoxy-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1cc(N)cc(OC)c1
InChIInChI=1S/C13H20N2O2/c1-5-13(2,3)15-12(16)9-6-10(14)8-11(7-9)17-4/h6-8H,5,14H2,1-4H3,(H,15,16)
InChIKeyZKUMQHZLDSJCTD-UHFFFAOYSA-N
XLogP2.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.20
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-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 5204623
methyl 2-[(3-amino-5-methoxybenzoyl)amino]acetate
CID 81090884
3-amino-5-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78985256
3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-5-methoxybenzamide
CID 81091867
3-amino-N-(2-amino-2-oxoethyl)-5-methoxybenzamide
CID 81089939
N-(1-bromo-2-methylbutan-2-yl)-3,5-dimethoxybenzamide
CID 113275625
3-amino-5-methoxy-N-(1-methoxybutan-2-yl)benzamide
CID 81091859
3-amino-N-(2-cyclopropylethyl)-5-methoxybenzamide
CID 81092217
3-amino-N-hexan-2-yl-5-methoxybenzamide
CID 81090278
3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide
CID 3297993
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-ethoxybenzamide
CID 107843413
5-amino-2-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 61091450

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxy-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 3-amino-5-methoxy-N-(2-methylbutan-2-yl)benzamide (CID 78985037) is 3-amino-5-methoxy-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 3-amino-5-methoxy-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 3-amino-5-methoxy-N-(2-methylbutan-2-yl)benzamide is CCC(C)(C)NC(=O)c1cc(N)cc(OC)c1.
What is the InChIKey of 3-amino-5-methoxy-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is ZKUMQHZLDSJCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-5-13(2,3)15-12(16)9-6-10(14)8-11(7-9)17-4/h6-8H,5,14H2,1-4H3,(H,15,16).
What are the key properties of 3-amino-5-methoxy-N-(2-methylbutan-2-yl)benzamide?
3-amino-5-methoxy-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 236.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxy-N-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 78985037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).