2-amino-6-ethoxy-N-(2-methylbutyl)benzamide

C14H22N2O2 — CID 81420937

IUPAC2-amino-6-ethoxy-N-(2-methylbutyl)benzamide
SMILESCCOc1cccc(N)c1C(=O)NCC(C)CC
InChIInChI=1S/C14H22N2O2/c1-4-10(3)9-16-14(17)13-11(15)7-6-8-12(13)18-5-2/h6-8,10H,4-5,9,15H2,1-3H3,(H,16,17)
InChIKeyLHQCKWRGNZGRJF-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.44
Rot. Bonds6

About 2-amino-6-ethoxy-N-(2-methylbutyl)benzamide

2-amino-6-ethoxy-N-(2-methylbutyl)benzamide (PubChem CID 81420937) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-6-ethoxy-N-(2-methylbutyl)benzamide.

Molecular Properties

Compound Name2-amino-6-ethoxy-N-(2-methylbutyl)benzamide
PubChem CID81420937
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-6-ethoxy-N-(2-methylbutyl)benzamide
SMILESCCOc1cccc(N)c1C(=O)NCC(C)CC
InChIInChI=1S/C14H22N2O2/c1-4-10(3)9-16-14(17)13-11(15)7-6-8-12(13)18-5-2/h6-8,10H,4-5,9,15H2,1-3H3,(H,16,17)
InChIKeyLHQCKWRGNZGRJF-UHFFFAOYSA-N
XLogP2.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.44
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-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide
CID 81420128
2-amino-6-ethoxy-N-(3-methoxy-2-methylpropyl)benzamide
CID 81420520
2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide
CID 81420510
methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate
CID 81410265
2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethoxybenzamide
CID 106343706
2-amino-6-ethoxy-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 107211215
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-(5-amino-5-oxopentyl)-6-ethoxybenzamide
CID 106233209
2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide
CID 81420265
2-amino-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 114464773
2-(2-aminophenoxy)-N-(2-methylbutyl)acetamide
CID 55108500

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethoxy-N-(2-methylbutyl)benzamide?
The IUPAC name of 2-amino-6-ethoxy-N-(2-methylbutyl)benzamide (CID 81420937) is 2-amino-6-ethoxy-N-(2-methylbutyl)benzamide.
What is the SMILES notation for 2-amino-6-ethoxy-N-(2-methylbutyl)benzamide?
The canonical SMILES for 2-amino-6-ethoxy-N-(2-methylbutyl)benzamide is CCOc1cccc(N)c1C(=O)NCC(C)CC.
What is the InChIKey of 2-amino-6-ethoxy-N-(2-methylbutyl)benzamide?
The InChIKey is LHQCKWRGNZGRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-10(3)9-16-14(17)13-11(15)7-6-8-12(13)18-5-2/h6-8,10H,4-5,9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-6-ethoxy-N-(2-methylbutyl)benzamide?
2-amino-6-ethoxy-N-(2-methylbutyl)benzamide has a molecular weight of 250.34 g/mol, XLogP of 2.44, 6 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-(2-methylbutyl)benzamide is sourced from PubChem (CID 81420937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).