2-[3-amino-5-ethoxy-N-(2-methylpropyl)anilino]acetamide

C14H23N3O2 — CID 80739279

IUPAC2-[3-amino-5-ethoxy-N-(2-methylpropyl)anilino]acetamide
SMILESCCOc1cc(N)cc(N(CC(N)=O)CC(C)C)c1
InChIInChI=1S/C14H23N3O2/c1-4-19-13-6-11(15)5-12(7-13)17(8-10(2)3)9-14(16)18/h5-7,10H,4,8-9,15H2,1-3H3,(H2,16,18)
InChIKeyQATSTPZEEWTENF-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.62
Rot. Bonds7

About 2-[3-amino-5-ethoxy-N-(2-methylpropyl)anilino]acetamide

2-[3-amino-5-ethoxy-N-(2-methylpropyl)anilino]acetamide (PubChem CID 80739279) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[3-amino-5-ethoxy-N-(2-methylpropyl)anilino]acetamide.

Molecular Properties

Compound Name2-[3-amino-5-ethoxy-N-(2-methylpropyl)anilino]acetamide
PubChem CID80739279
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[3-amino-5-ethoxy-N-(2-methylpropyl)anilino]acetamide
SMILESCCOc1cc(N)cc(N(CC(N)=O)CC(C)C)c1
InChIInChI=1S/C14H23N3O2/c1-4-19-13-6-11(15)5-12(7-13)17(8-10(2)3)9-14(16)18/h5-7,10H,4,8-9,15H2,1-3H3,(H2,16,18)
InChIKeyQATSTPZEEWTENF-UHFFFAOYSA-N
XLogP1.62
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-amino-N-(2-methylpropyl)-5-propan-2-yloxyanilino]acetamide
CID 80739194
2-(3-amino-N-butyl-5-ethoxyanilino)acetamide
CID 80738963
2-[3-amino-5-fluoro-N-(2-methylpropyl)anilino]acetamide
CID 55002568
3-N,3-N-bis(2-methylpropyl)-5-propoxybenzene-1,3-diamine
CID 80730638
3-N-ethyl-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine
CID 80722610
2-(3-amino-N-butyl-5-propoxyanilino)acetamide
CID 80739849
3-amino-5-ethoxy-N-methyl-N-(2-methylpropyl)benzamide
CID 81090070
3-N,3-N-bis(2-methylpropyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80730138
3-(3-amino-5-ethoxy-N-methylanilino)-N,2-dimethylpropanamide
CID 106914296
3-N-(2-methoxyethyl)-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine
CID 80739720
3-N,3-N-dibutyl-5-ethoxybenzene-1,3-diamine
CID 80722097
2-(3-amino-5-ethoxy-N-propylanilino)ethanol
CID 80730766

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-5-ethoxy-N-(2-methylpropyl)anilino]acetamide?
The IUPAC name of 2-[3-amino-5-ethoxy-N-(2-methylpropyl)anilino]acetamide (CID 80739279) is 2-[3-amino-5-ethoxy-N-(2-methylpropyl)anilino]acetamide.
What is the SMILES notation for 2-[3-amino-5-ethoxy-N-(2-methylpropyl)anilino]acetamide?
The canonical SMILES for 2-[3-amino-5-ethoxy-N-(2-methylpropyl)anilino]acetamide is CCOc1cc(N)cc(N(CC(N)=O)CC(C)C)c1.
What is the InChIKey of 2-[3-amino-5-ethoxy-N-(2-methylpropyl)anilino]acetamide?
The InChIKey is QATSTPZEEWTENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-19-13-6-11(15)5-12(7-13)17(8-10(2)3)9-14(16)18/h5-7,10H,4,8-9,15H2,1-3H3,(H2,16,18).
What are the key properties of 2-[3-amino-5-ethoxy-N-(2-methylpropyl)anilino]acetamide?
2-[3-amino-5-ethoxy-N-(2-methylpropyl)anilino]acetamide has a molecular weight of 265.36 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-5-ethoxy-N-(2-methylpropyl)anilino]acetamide is sourced from PubChem (CID 80739279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).