2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide

C13H20N2O3 — CID 81420128

IUPAC2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide
SMILESCCOc1cccc(N)c1C(=O)NCC(C)CO
InChIInChI=1S/C13H20N2O3/c1-3-18-11-6-4-5-10(14)12(11)13(17)15-7-9(2)8-16/h4-6,9,16H,3,7-8,14H2,1-2H3,(H,15,17)
InChIKeyBTGAFFIACONJFZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.03
Rot. Bonds6

About 2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide

2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide (PubChem CID 81420128) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide
PubChem CID81420128
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide
SMILESCCOc1cccc(N)c1C(=O)NCC(C)CO
InChIInChI=1S/C13H20N2O3/c1-3-18-11-6-4-5-10(14)12(11)13(17)15-7-9(2)8-16/h4-6,9,16H,3,7-8,14H2,1-2H3,(H,15,17)
InChIKeyBTGAFFIACONJFZ-UHFFFAOYSA-N
XLogP1.03
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-ethoxy-N-(2-methylbutyl)benzamide
CID 81420937
2-amino-6-ethoxy-N-(3-methoxy-2-methylpropyl)benzamide
CID 81420520
2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide
CID 81420510
2-amino-6-ethoxy-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 107211215
methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate
CID 81410265
2-amino-6-ethoxy-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 81420087
2-amino-6-ethoxy-N-(4-propan-2-yloxybutyl)benzamide
CID 106006138
2-amino-N-(2,3-dihydroxypropyl)-6-methoxybenzamide
CID 81420269
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-ethylpentan-3-yl)benzamide
CID 81420265
2-fluoro-N-(3-hydroxy-2-methylpropyl)-6-methoxybenzamide
CID 65433658

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide?
The IUPAC name of 2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide (CID 81420128) is 2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide.
What is the SMILES notation for 2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide?
The canonical SMILES for 2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide is CCOc1cccc(N)c1C(=O)NCC(C)CO.
What is the InChIKey of 2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide?
The InChIKey is BTGAFFIACONJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-18-11-6-4-5-10(14)12(11)13(17)15-7-9(2)8-16/h4-6,9,16H,3,7-8,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide?
2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide has a molecular weight of 252.31 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide is sourced from PubChem (CID 81420128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).