2-(3-butan-2-yloxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide

C21H26N2O3 — CID 54829963

IUPAC2-(3-butan-2-yloxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccc(NC(=O)CNc2cccc(OC(C)CC)c2)cc1
InChIInChI=1S/C21H26N2O3/c1-4-13-25-19-11-9-17(10-12-19)23-21(24)15-22-18-7-6-8-20(14-18)26-16(3)5-2/h4,6-12,14,16,22H,1,5,13,15H2,2-3H3,(H,23,24)
InChIKeyLWJCGVFIADSQHN-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.48
Rot. Bonds10

About 2-(3-butan-2-yloxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide

2-(3-butan-2-yloxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide (PubChem CID 54829963) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(3-butan-2-yloxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-butan-2-yloxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide
PubChem CID54829963
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-(3-butan-2-yloxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccc(NC(=O)CNc2cccc(OC(C)CC)c2)cc1
InChIInChI=1S/C21H26N2O3/c1-4-13-25-19-11-9-17(10-12-19)23-21(24)15-22-18-7-6-8-20(14-18)26-16(3)5-2/h4,6-12,14,16,22H,1,5,13,15H2,2-3H3,(H,23,24)
InChIKeyLWJCGVFIADSQHN-UHFFFAOYSA-N
XLogP4.48
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-butan-2-yloxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide 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

N-(4-butan-2-yloxyphenyl)-2-(3-prop-2-enoxyanilino)acetamide
CID 54826479
N-(3-butan-2-yloxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820106
2-(3-hexoxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54823633
N-[4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835772
2-(3-acetamidoanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54831803
2-(4-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54821314
4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54829387
N-(3-butan-2-yloxyphenyl)-2-(4-phenoxyanilino)acetamide
CID 54812451
N-(4-ethoxyphenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54830003
N-butan-2-yl-2-(3-prop-2-enoxyanilino)acetamide
CID 54826343
N-(4-bromophenyl)-2-(3-prop-2-enoxyanilino)acetamide
CID 54826542
N-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide
CID 54826616

Frequently Asked Questions

What is the IUPAC name of 2-(3-butan-2-yloxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide?
The IUPAC name of 2-(3-butan-2-yloxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide (CID 54829963) is 2-(3-butan-2-yloxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-butan-2-yloxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide?
The canonical SMILES for 2-(3-butan-2-yloxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide is C=CCOc1ccc(NC(=O)CNc2cccc(OC(C)CC)c2)cc1.
What is the InChIKey of 2-(3-butan-2-yloxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide?
The InChIKey is LWJCGVFIADSQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-13-25-19-11-9-17(10-12-19)23-21(24)15-22-18-7-6-8-20(14-18)26-16(3)5-2/h4,6-12,14,16,22H,1,5,13,15H2,2-3H3,(H,23,24).
What are the key properties of 2-(3-butan-2-yloxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide?
2-(3-butan-2-yloxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 4.48, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butan-2-yloxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide is sourced from PubChem (CID 54829963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).