N-benzyl-2-[4-(3-methylbutoxy)phenoxy]acetamide

C20H25NO3 — CID 4732905

IUPACN-benzyl-2-[4-(3-methylbutoxy)phenoxy]acetamide
SMILESCC(C)CCOc1ccc(OCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H25NO3/c1-16(2)12-13-23-18-8-10-19(11-9-18)24-15-20(22)21-14-17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,21,22)
InChIKeyJFPMXQZYZNXSAL-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.81
Rot. Bonds9

About N-benzyl-2-[4-(3-methylbutoxy)phenoxy]acetamide

N-benzyl-2-[4-(3-methylbutoxy)phenoxy]acetamide (PubChem CID 4732905) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-benzyl-2-[4-(3-methylbutoxy)phenoxy]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(3-methylbutoxy)phenoxy]acetamide
PubChem CID4732905
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-benzyl-2-[4-(3-methylbutoxy)phenoxy]acetamide
SMILESCC(C)CCOc1ccc(OCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H25NO3/c1-16(2)12-13-23-18-8-10-19(11-9-18)24-15-20(22)21-14-17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,21,22)
InChIKeyJFPMXQZYZNXSAL-UHFFFAOYSA-N
XLogP3.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633501
2-[4-(3-methylbutoxy)phenoxy]-N-naphthalen-1-ylacetamide
CID 4732901
2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide
CID 4732908
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
N-benzyl-2-(4-formylphenoxy)acetamide
CID 17201664
4-[2-(benzylamino)-2-oxoethoxy]benzamide
CID 7931534
2-phenoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 47043812
N-[[4-(3-methylbutoxy)phenyl]methyl]aniline
CID 29039678
N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide
CID 4513811
N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956685
N-benzyl-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1317169
[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-(3-methylbutoxy)benzoate
CID 42981381

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(3-methylbutoxy)phenoxy]acetamide?
The IUPAC name of N-benzyl-2-[4-(3-methylbutoxy)phenoxy]acetamide (CID 4732905) is N-benzyl-2-[4-(3-methylbutoxy)phenoxy]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(3-methylbutoxy)phenoxy]acetamide?
The canonical SMILES for N-benzyl-2-[4-(3-methylbutoxy)phenoxy]acetamide is CC(C)CCOc1ccc(OCC(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-[4-(3-methylbutoxy)phenoxy]acetamide?
The InChIKey is JFPMXQZYZNXSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-16(2)12-13-23-18-8-10-19(11-9-18)24-15-20(22)21-14-17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,21,22).
What are the key properties of N-benzyl-2-[4-(3-methylbutoxy)phenoxy]acetamide?
N-benzyl-2-[4-(3-methylbutoxy)phenoxy]acetamide has a molecular weight of 327.42 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(3-methylbutoxy)phenoxy]acetamide is sourced from PubChem (CID 4732905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).