2-[3-amino-N-(2-methylpropyl)-5-propan-2-yloxyanilino]acetamide

C15H25N3O2 — CID 80739194

IUPAC2-[3-amino-N-(2-methylpropyl)-5-propan-2-yloxyanilino]acetamide
SMILESCC(C)CN(CC(N)=O)c1cc(N)cc(OC(C)C)c1
InChIInChI=1S/C15H25N3O2/c1-10(2)8-18(9-15(17)19)13-5-12(16)6-14(7-13)20-11(3)4/h5-7,10-11H,8-9,16H2,1-4H3,(H2,17,19)
InChIKeyJQHSZNZEJJLCAM-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.00
Rot. Bonds7

About 2-[3-amino-N-(2-methylpropyl)-5-propan-2-yloxyanilino]acetamide

2-[3-amino-N-(2-methylpropyl)-5-propan-2-yloxyanilino]acetamide (PubChem CID 80739194) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[3-amino-N-(2-methylpropyl)-5-propan-2-yloxyanilino]acetamide.

Molecular Properties

Compound Name2-[3-amino-N-(2-methylpropyl)-5-propan-2-yloxyanilino]acetamide
PubChem CID80739194
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[3-amino-N-(2-methylpropyl)-5-propan-2-yloxyanilino]acetamide
SMILESCC(C)CN(CC(N)=O)c1cc(N)cc(OC(C)C)c1
InChIInChI=1S/C15H25N3O2/c1-10(2)8-18(9-15(17)19)13-5-12(16)6-14(7-13)20-11(3)4/h5-7,10-11H,8-9,16H2,1-4H3,(H2,17,19)
InChIKeyJQHSZNZEJJLCAM-UHFFFAOYSA-N
XLogP2.00
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.00
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

3-N,3-N-bis(2-methylpropyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80730138
2-[3-amino-5-ethoxy-N-(2-methylpropyl)anilino]acetamide
CID 80739279
2-[3-amino-5-fluoro-N-(2-methylpropyl)anilino]acetamide
CID 55002568
2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-N-methylacetamide
CID 80730536
3-[3-amino-N-(2-methylpropyl)-5-propan-2-yloxyanilino]propanenitrile
CID 80738390
3-N-ethyl-3-N-(2-ethylbutyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80731502
2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)ethanol
CID 80730244
1-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-2-methylpropan-2-ol
CID 80734941
2-(3-amino-N-methyl-5-propan-2-yloxyanilino)-N-ethylacetamide
CID 80740226
3-N,3-N-bis(2-methylpropyl)-5-propoxybenzene-1,3-diamine
CID 80730638
2-[(4-amino-6-chloro-2-pyridinyl)-(2-methylpropyl)amino]acetamide
CID 114070570
2-(3-amino-N-butyl-5-ethoxyanilino)acetamide
CID 80738963

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-N-(2-methylpropyl)-5-propan-2-yloxyanilino]acetamide?
The IUPAC name of 2-[3-amino-N-(2-methylpropyl)-5-propan-2-yloxyanilino]acetamide (CID 80739194) is 2-[3-amino-N-(2-methylpropyl)-5-propan-2-yloxyanilino]acetamide.
What is the SMILES notation for 2-[3-amino-N-(2-methylpropyl)-5-propan-2-yloxyanilino]acetamide?
The canonical SMILES for 2-[3-amino-N-(2-methylpropyl)-5-propan-2-yloxyanilino]acetamide is CC(C)CN(CC(N)=O)c1cc(N)cc(OC(C)C)c1.
What is the InChIKey of 2-[3-amino-N-(2-methylpropyl)-5-propan-2-yloxyanilino]acetamide?
The InChIKey is JQHSZNZEJJLCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10(2)8-18(9-15(17)19)13-5-12(16)6-14(7-13)20-11(3)4/h5-7,10-11H,8-9,16H2,1-4H3,(H2,17,19).
What are the key properties of 2-[3-amino-N-(2-methylpropyl)-5-propan-2-yloxyanilino]acetamide?
2-[3-amino-N-(2-methylpropyl)-5-propan-2-yloxyanilino]acetamide has a molecular weight of 279.38 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-N-(2-methylpropyl)-5-propan-2-yloxyanilino]acetamide is sourced from PubChem (CID 80739194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).