N-(3-methylbutyl)-2-phenoxyacetamide

C13H19NO2 — CID 2905656

IUPACN-(3-methylbutyl)-2-phenoxyacetamide
SMILESCC(C)CCNC(=O)COc1ccccc1
InChIInChI=1S/C13H19NO2/c1-11(2)8-9-14-13(15)10-16-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,14,15)
InChIKeyYLIRKGQJTIQTBG-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.23
Rot. Bonds6

About N-(3-methylbutyl)-2-phenoxyacetamide

N-(3-methylbutyl)-2-phenoxyacetamide (PubChem CID 2905656) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-phenoxyacetamide
PubChem CID2905656
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(3-methylbutyl)-2-phenoxyacetamide
SMILESCC(C)CCNC(=O)COc1ccccc1
InChIInChI=1S/C13H19NO2/c1-11(2)8-9-14-13(15)10-16-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,14,15)
InChIKeyYLIRKGQJTIQTBG-UHFFFAOYSA-N
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide
CID 60625494
N-(3-aminobutyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 119497991
2-[3-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 54957411
2-[2-(3-methylbutylamino)-2-oxoethoxy]benzoic acid
CID 43214287
2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 21368057
2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 60624673
5-[2-(3-methylbutylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79795056
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-methylbutyl)acetamide
CID 30129108
2-[2-(1-hydroxyethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 61486616
2-[2-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylbutyl)acetamide
CID 63364835
N-(4-acetamidobutyl)-2-phenoxyacetamide
CID 110358551
N-benzyl-2-[4-(3-methylbutoxy)phenoxy]acetamide
CID 4732905

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-phenoxyacetamide?
The IUPAC name of N-(3-methylbutyl)-2-phenoxyacetamide (CID 2905656) is N-(3-methylbutyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-phenoxyacetamide?
The canonical SMILES for N-(3-methylbutyl)-2-phenoxyacetamide is CC(C)CCNC(=O)COc1ccccc1.
What is the InChIKey of N-(3-methylbutyl)-2-phenoxyacetamide?
The InChIKey is YLIRKGQJTIQTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-11(2)8-9-14-13(15)10-16-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,14,15).
What are the key properties of N-(3-methylbutyl)-2-phenoxyacetamide?
N-(3-methylbutyl)-2-phenoxyacetamide has a molecular weight of 221.30 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-phenoxyacetamide is sourced from PubChem (CID 2905656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).