2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-N-methylacetamide

C14H23N3O2 — CID 80730536

IUPAC2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-N-methylacetamide
SMILESCCN(CC(=O)NC)c1cc(N)cc(OC(C)C)c1
InChIInChI=1S/C14H23N3O2/c1-5-17(9-14(18)16-4)12-6-11(15)7-13(8-12)19-10(2)3/h6-8,10H,5,9,15H2,1-4H3,(H,16,18)
InChIKeyRJGAQYFKZFMJRP-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.63
Rot. Bonds6

About 2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-N-methylacetamide

2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-N-methylacetamide (PubChem CID 80730536) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-N-methylacetamide
PubChem CID80730536
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-N-methylacetamide
SMILESCCN(CC(=O)NC)c1cc(N)cc(OC(C)C)c1
InChIInChI=1S/C14H23N3O2/c1-5-17(9-14(18)16-4)12-6-11(15)7-13(8-12)19-10(2)3/h6-8,10H,5,9,15H2,1-4H3,(H,16,18)
InChIKeyRJGAQYFKZFMJRP-UHFFFAOYSA-N
XLogP1.63
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)ethanol
CID 80730244
3-N-ethyl-3-N-(2-ethylbutyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80731502
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
2-[3-amino-N-(2-methylpropyl)-5-propan-2-yloxyanilino]acetamide
CID 80739194
3-N-[3-(dimethylamino)propyl]-3-N-ethyl-5-propan-2-yloxybenzene-1,3-diamine
CID 102991115
3-N,3-N-bis(2-methylpropyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80730138
2-(4-amino-N-ethylanilino)-N-methylacetamide
CID 43577916
2-[(5-aminopyrazin-2-yl)-ethylamino]-N-methylacetamide
CID 80652125
2-[3-amino-5-ethoxy-N-(2-methylpropyl)anilino]acetamide
CID 80739279
2-[(3-amino-5-methoxyphenyl)methyl-ethylamino]-N-methylacetamide
CID 81149931
3-[3-amino-N-(2-methylpropyl)-5-propan-2-yloxyanilino]propanenitrile
CID 80738390

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-N-methylacetamide?
The IUPAC name of 2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-N-methylacetamide (CID 80730536) is 2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-N-methylacetamide.
What is the SMILES notation for 2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-N-methylacetamide?
The canonical SMILES for 2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-N-methylacetamide is CCN(CC(=O)NC)c1cc(N)cc(OC(C)C)c1.
What is the InChIKey of 2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-N-methylacetamide?
The InChIKey is RJGAQYFKZFMJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-17(9-14(18)16-4)12-6-11(15)7-13(8-12)19-10(2)3/h6-8,10H,5,9,15H2,1-4H3,(H,16,18).
What are the key properties of 2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-N-methylacetamide?
2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-N-methylacetamide has a molecular weight of 265.36 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-N-methylacetamide is sourced from PubChem (CID 80730536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).