2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide

C16H26N2O2 — CID 81420265

IUPAC2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide
SMILESCCOc1cccc(N)c1C(=O)NC(CC)(CC)CC
InChIInChI=1S/C16H26N2O2/c1-5-16(6-2,7-3)18-15(19)14-12(17)10-9-11-13(14)20-8-4/h9-11H,5-8,17H2,1-4H3,(H,18,19)
InChIKeyABPUABNPHMHLCP-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.37
Rot. Bonds7

About 2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide

2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide (PubChem CID 81420265) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide
PubChem CID81420265
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide
SMILESCCOc1cccc(N)c1C(=O)NC(CC)(CC)CC
InChIInChI=1S/C16H26N2O2/c1-5-16(6-2,7-3)18-15(19)14-12(17)10-9-11-13(14)20-8-4/h9-11H,5-8,17H2,1-4H3,(H,18,19)
InChIKeyABPUABNPHMHLCP-UHFFFAOYSA-N
XLogP3.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.37
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

2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide
CID 81420510
methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate
CID 81410265
2-amino-N-cyclooctyl-6-ethoxybenzamide
CID 81396294
2-amino-6-ethoxy-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 107211215
2-amino-6-ethoxy-N-(2-methylbutyl)benzamide
CID 81420937
2-amino-N-(2-bromophenyl)-6-ethoxybenzamide
CID 81410099
2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethoxybenzamide
CID 106343706
2-amino-N-(5-amino-5-oxopentyl)-6-ethoxybenzamide
CID 106233209
2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide
CID 81420128
2-amino-N-(3,4-dimethylphenyl)-6-ethoxybenzamide
CID 81394623
2-amino-6-ethoxy-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 81420087
2-amino-N-(4,6-dimethylpyrimidin-2-yl)-6-ethoxybenzamide
CID 81394291

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide?
The IUPAC name of 2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide (CID 81420265) is 2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide.
What is the SMILES notation for 2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide?
The canonical SMILES for 2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide is CCOc1cccc(N)c1C(=O)NC(CC)(CC)CC.
What is the InChIKey of 2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide?
The InChIKey is ABPUABNPHMHLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-16(6-2,7-3)18-15(19)14-12(17)10-9-11-13(14)20-8-4/h9-11H,5-8,17H2,1-4H3,(H,18,19).
What are the key properties of 2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide?
2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide has a molecular weight of 278.40 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide is sourced from PubChem (CID 81420265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).