2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide

C16H25NO3 — CID 4732908

IUPAC2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide
SMILESCC(C)CCOc1ccc(OCC(=O)NC(C)C)cc1
InChIInChI=1S/C16H25NO3/c1-12(2)9-10-19-14-5-7-15(8-6-14)20-11-16(18)17-13(3)4/h5-8,12-13H,9-11H2,1-4H3,(H,17,18)
InChIKeyBOOZHUAYGLIPGI-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.01
Rot. Bonds8

About 2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide

2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide (PubChem CID 4732908) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide
PubChem CID4732908
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide
SMILESCC(C)CCOc1ccc(OCC(=O)NC(C)C)cc1
InChIInChI=1S/C16H25NO3/c1-12(2)9-10-19-14-5-7-15(8-6-14)20-11-16(18)17-13(3)4/h5-8,12-13H,9-11H2,1-4H3,(H,17,18)
InChIKeyBOOZHUAYGLIPGI-UHFFFAOYSA-N
XLogP3.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide 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-phenoxy-N-propan-2-ylacetamide
CID 3614481
2-(4-methoxyphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 4949852
N-[4-(3-methylbutoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 4949733
N-benzyl-2-[4-(3-methylbutoxy)phenoxy]acetamide
CID 4732905
2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide
CID 112789363
2-[4-[(2-methylpropylamino)methyl]phenoxy]-N-propan-2-ylacetamide
CID 63062886
2-[4-[3-(methylamino)butyl]phenoxy]-N-propan-2-ylacetamide
CID 43279744
2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]acetamide
CID 119311263
methyl 4-[2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethoxy]benzoate
CID 9019633
methyl 3-[4-(3-methylbutoxy)anilino]-3-oxopropanoate
CID 28638022
2-[4-(3-methylbutoxy)phenoxy]-N-naphthalen-1-ylacetamide
CID 4732901
2-(4-aminophenoxy)-N-(6-methylheptan-2-yl)acetamide
CID 61036016

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide (CID 4732908) is 2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide is CC(C)CCOc1ccc(OCC(=O)NC(C)C)cc1.
What is the InChIKey of 2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide?
The InChIKey is BOOZHUAYGLIPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12(2)9-10-19-14-5-7-15(8-6-14)20-11-16(18)17-13(3)4/h5-8,12-13H,9-11H2,1-4H3,(H,17,18).
What are the key properties of 2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide?
2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide has a molecular weight of 279.38 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 4732908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).