2-(2-methoxyphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide

C17H27NO3 — CID 102914369

IUPAC2-(2-methoxyphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
SMILESCOc1ccccc1OCC(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C17H27NO3/c1-12(2)14(13(3)4)10-18-17(19)11-21-16-9-7-6-8-15(16)20-5/h6-9,12-14H,10-11H2,1-5H3,(H,18,19)
InChIKeyKLYCBOLCXQROEZ-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.12
Rot. Bonds8

About 2-(2-methoxyphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide

2-(2-methoxyphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide (PubChem CID 102914369) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
PubChem CID102914369
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-(2-methoxyphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
SMILESCOc1ccccc1OCC(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C17H27NO3/c1-12(2)14(13(3)4)10-18-17(19)11-21-16-9-7-6-8-15(16)20-5/h6-9,12-14H,10-11H2,1-5H3,(H,18,19)
InChIKeyKLYCBOLCXQROEZ-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methoxyphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)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-(2-hydroxy-3-methylbutyl)-2-(2-methoxyphenoxy)acetamide
CID 115701647
N-(2-aminopropyl)-2-(2-methoxyphenoxy)acetamide
CID 82354186
2-(2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914944
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-methylpropyl)acetamide
CID 49167933
N-(3-amino-2-methylpropyl)-2-(2-methoxyphenoxy)acetamide
CID 115267431
N-(2-ethylbutyl)-2-(2-methoxyphenoxy)acetamide
CID 115612569
N-(2-hydroxy-4-methylpentyl)-2-(2-methoxyphenoxy)acetamide
CID 103770844
N-(2-hydroxypentyl)-2-(2-methoxyphenoxy)acetamide
CID 115700511
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-(2-methoxyphenoxy)acetamide
CID 99593313
N-(3-aminobutyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride
CID 119494768
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methoxyphenoxy)acetamide
CID 110663484
methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 113257879

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide (CID 102914369) is 2-(2-methoxyphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide is COc1ccccc1OCC(=O)NCC(C(C)C)C(C)C.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide?
The InChIKey is KLYCBOLCXQROEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12(2)14(13(3)4)10-18-17(19)11-21-16-9-7-6-8-15(16)20-5/h6-9,12-14H,10-11H2,1-5H3,(H,18,19).
What are the key properties of 2-(2-methoxyphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide?
2-(2-methoxyphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide has a molecular weight of 293.41 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide is sourced from PubChem (CID 102914369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).