2-(2-butoxyanilino)-N-ethylacetamide

C14H22N2O2 — CID 54828166

IUPAC2-(2-butoxyanilino)-N-ethylacetamide
SMILESCCCCOc1ccccc1NCC(=O)NCC
InChIInChI=1S/C14H22N2O2/c1-3-5-10-18-13-9-7-6-8-12(13)16-11-14(17)15-4-2/h6-9,16H,3-5,10-11H2,1-2H3,(H,15,17)
InChIKeyJSLLASKZJJTVEG-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.41
Rot. Bonds8

About 2-(2-butoxyanilino)-N-ethylacetamide

2-(2-butoxyanilino)-N-ethylacetamide (PubChem CID 54828166) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(2-butoxyanilino)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-butoxyanilino)-N-ethylacetamide
PubChem CID54828166
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(2-butoxyanilino)-N-ethylacetamide
SMILESCCCCOc1ccccc1NCC(=O)NCC
InChIInChI=1S/C14H22N2O2/c1-3-5-10-18-13-9-7-6-8-12(13)16-11-14(17)15-4-2/h6-9,16H,3-5,10-11H2,1-2H3,(H,15,17)
InChIKeyJSLLASKZJJTVEG-UHFFFAOYSA-N
XLogP2.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-butoxyanilino)-N-ethylacetamide 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-(2-butoxyanilino)-N-(4-chlorophenyl)acetamide
CID 54827839
2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54828232
N-[3-[[2-(2-butoxyanilino)acetyl]amino]phenyl]propanamide
CID 54828042
N-(2-butoxyphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 54823404
N-(3-acetamidophenyl)-2-(2-butoxyanilino)acetamide
CID 54828105
N-(2-butoxyphenyl)propanamide
CID 15943029
2-(2-aminoanilino)-N-ethylacetamide
CID 43566808
1,3-bis(2-butoxyphenyl)urea
CID 17170447
N-butyl-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825887
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
4-[[2-(2-butoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54828140
N-(3-bromophenyl)-2-(2-butoxyanilino)acetamide
CID 54827782

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyanilino)-N-ethylacetamide?
The IUPAC name of 2-(2-butoxyanilino)-N-ethylacetamide (CID 54828166) is 2-(2-butoxyanilino)-N-ethylacetamide.
What is the SMILES notation for 2-(2-butoxyanilino)-N-ethylacetamide?
The canonical SMILES for 2-(2-butoxyanilino)-N-ethylacetamide is CCCCOc1ccccc1NCC(=O)NCC.
What is the InChIKey of 2-(2-butoxyanilino)-N-ethylacetamide?
The InChIKey is JSLLASKZJJTVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-5-10-18-13-9-7-6-8-12(13)16-11-14(17)15-4-2/h6-9,16H,3-5,10-11H2,1-2H3,(H,15,17).
What are the key properties of 2-(2-butoxyanilino)-N-ethylacetamide?
2-(2-butoxyanilino)-N-ethylacetamide has a molecular weight of 250.34 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyanilino)-N-ethylacetamide is sourced from PubChem (CID 54828166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).