3-amino-4-ethoxy-N-(2-hydroxy-2-methylbutyl)benzamide

C14H22N2O3 — CID 65103916

IUPAC3-amino-4-ethoxy-N-(2-hydroxy-2-methylbutyl)benzamide
SMILESCCOc1ccc(C(=O)NCC(C)(O)CC)cc1N
InChIInChI=1S/C14H22N2O3/c1-4-14(3,18)9-16-13(17)10-6-7-12(19-5-2)11(15)8-10/h6-8,18H,4-5,9,15H2,1-3H3,(H,16,17)
InChIKeyRTYZOBZWKLPFTK-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.56
Rot. Bonds6

About 3-amino-4-ethoxy-N-(2-hydroxy-2-methylbutyl)benzamide

3-amino-4-ethoxy-N-(2-hydroxy-2-methylbutyl)benzamide (PubChem CID 65103916) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-amino-4-ethoxy-N-(2-hydroxy-2-methylbutyl)benzamide.

Molecular Properties

Compound Name3-amino-4-ethoxy-N-(2-hydroxy-2-methylbutyl)benzamide
PubChem CID65103916
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-amino-4-ethoxy-N-(2-hydroxy-2-methylbutyl)benzamide
SMILESCCOc1ccc(C(=O)NCC(C)(O)CC)cc1N
InChIInChI=1S/C14H22N2O3/c1-4-14(3,18)9-16-13(17)10-6-7-12(19-5-2)11(15)8-10/h6-8,18H,4-5,9,15H2,1-3H3,(H,16,17)
InChIKeyRTYZOBZWKLPFTK-UHFFFAOYSA-N
XLogP1.56
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.56
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

4-amino-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide
CID 104783009
3-amino-4-ethoxy-N-(2-hydroxyethyl)benzamide
CID 61093968
3-amino-4-ethoxy-N-hexylbenzamide
CID 61112297
4-fluoro-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide
CID 81003078
3-amino-N-[(4-bromophenyl)methyl]-4-ethoxybenzamide
CID 61090989
3-amino-N-[(4-chlorophenyl)methyl]-4-ethoxybenzamide
CID 61095701
3-amino-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 82070377
N-(2-hydroxy-2-methylbutyl)-4-methylbenzamide
CID 65109665
3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylbenzamide
CID 106289291
4-amino-N-(2,2-dimethylbutyl)-3-methoxybenzamide
CID 103459930
ethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate
CID 61498178
3-amino-4-ethoxy-N-pyrimidin-2-ylbenzamide
CID 61093521

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethoxy-N-(2-hydroxy-2-methylbutyl)benzamide?
The IUPAC name of 3-amino-4-ethoxy-N-(2-hydroxy-2-methylbutyl)benzamide (CID 65103916) is 3-amino-4-ethoxy-N-(2-hydroxy-2-methylbutyl)benzamide.
What is the SMILES notation for 3-amino-4-ethoxy-N-(2-hydroxy-2-methylbutyl)benzamide?
The canonical SMILES for 3-amino-4-ethoxy-N-(2-hydroxy-2-methylbutyl)benzamide is CCOc1ccc(C(=O)NCC(C)(O)CC)cc1N.
What is the InChIKey of 3-amino-4-ethoxy-N-(2-hydroxy-2-methylbutyl)benzamide?
The InChIKey is RTYZOBZWKLPFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-14(3,18)9-16-13(17)10-6-7-12(19-5-2)11(15)8-10/h6-8,18H,4-5,9,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-4-ethoxy-N-(2-hydroxy-2-methylbutyl)benzamide?
3-amino-4-ethoxy-N-(2-hydroxy-2-methylbutyl)benzamide has a molecular weight of 266.34 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethoxy-N-(2-hydroxy-2-methylbutyl)benzamide is sourced from PubChem (CID 65103916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).