N-(4-butan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide

C17H27NO3 — CID 133246278

IUPACN-(4-butan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide
SMILESCCOC(C)(CC)C(=O)Nc1ccc(OC(C)CC)cc1
InChIInChI=1S/C17H27NO3/c1-6-13(4)21-15-11-9-14(10-12-15)18-16(19)17(5,7-2)20-8-3/h9-13H,6-8H2,1-5H3,(H,18,19)
InChIKeySNDGPOCBTQIUEU-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.01
Rot. Bonds8

About N-(4-butan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide

N-(4-butan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide (PubChem CID 133246278) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(4-butan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide.

Molecular Properties

Compound NameN-(4-butan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide
PubChem CID133246278
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-(4-butan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide
SMILESCCOC(C)(CC)C(=O)Nc1ccc(OC(C)CC)cc1
InChIInChI=1S/C17H27NO3/c1-6-13(4)21-15-11-9-14(10-12-15)18-16(19)17(5,7-2)20-8-3/h9-13H,6-8H2,1-5H3,(H,18,19)
InChIKeySNDGPOCBTQIUEU-UHFFFAOYSA-N
XLogP4.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-butan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide?
The IUPAC name of N-(4-butan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide (CID 133246278) is N-(4-butan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide.
What is the SMILES notation for N-(4-butan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide?
The canonical SMILES for N-(4-butan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide is CCOC(C)(CC)C(=O)Nc1ccc(OC(C)CC)cc1.
What is the InChIKey of N-(4-butan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide?
The InChIKey is SNDGPOCBTQIUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-6-13(4)21-15-11-9-14(10-12-15)18-16(19)17(5,7-2)20-8-3/h9-13H,6-8H2,1-5H3,(H,18,19).
What are the key properties of N-(4-butan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide?
N-(4-butan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide has a molecular weight of 293.41 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide is sourced from PubChem (CID 133246278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).