N-methyl-2-[3-(2-methylbutyl)phenoxy]acetamide

C14H21NO2 — CID 138724732

IUPACN-methyl-2-[3-(2-methylbutyl)phenoxy]acetamide
SMILESCCC(C)Cc1cccc(OCC(=O)NC)c1
InChIInChI=1S/C14H21NO2/c1-4-11(2)8-12-6-5-7-13(9-12)17-10-14(16)15-3/h5-7,9,11H,4,8,10H2,1-3H3,(H,15,16)
InChIKeyLMYKLZRWHLINAD-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.40
Rot. Bonds6

About N-methyl-2-[3-(2-methylbutyl)phenoxy]acetamide

N-methyl-2-[3-(2-methylbutyl)phenoxy]acetamide (PubChem CID 138724732) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-methyl-2-[3-(2-methylbutyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[3-(2-methylbutyl)phenoxy]acetamide
PubChem CID138724732
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-methyl-2-[3-(2-methylbutyl)phenoxy]acetamide
SMILESCCC(C)Cc1cccc(OCC(=O)NC)c1
InChIInChI=1S/C14H21NO2/c1-4-11(2)8-12-6-5-7-13(9-12)17-10-14(16)15-3/h5-7,9,11H,4,8,10H2,1-3H3,(H,15,16)
InChIKeyLMYKLZRWHLINAD-UHFFFAOYSA-N
XLogP2.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-[3-(2-methylbutylamino)phenoxy]acetamide
CID 43693352
N-methyl-2-[3-(propylaminomethyl)phenoxy]acetamide
CID 43278420
2-[3-(2-aminopropyl)phenoxy]-N-butan-2-ylacetamide
CID 54929359
(3S)-4-(3-methoxyphenyl)-N,3-dimethylbutanamide
CID 140551869
10-[3-[(2S)-2-methylbutyl]phenoxy]decanoic acid
CID 59600109
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
N-methyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide
CID 43279883
6-[3-[(2R)-2-methylbutyl]phenoxy]hexanoic acid;sulfane
CID 161096653
2-bromo-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]butanamide
CID 62855576
3-[3-(2-aminobutyl)phenoxy]-N-methylpropanamide
CID 62325770
2-(3-ethylphenoxy)-N'-methylacetohydrazide
CID 116820670
2-[3-(2-aminopropyl)phenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 61486419

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(2-methylbutyl)phenoxy]acetamide?
The IUPAC name of N-methyl-2-[3-(2-methylbutyl)phenoxy]acetamide (CID 138724732) is N-methyl-2-[3-(2-methylbutyl)phenoxy]acetamide.
What is the SMILES notation for N-methyl-2-[3-(2-methylbutyl)phenoxy]acetamide?
The canonical SMILES for N-methyl-2-[3-(2-methylbutyl)phenoxy]acetamide is CCC(C)Cc1cccc(OCC(=O)NC)c1.
What is the InChIKey of N-methyl-2-[3-(2-methylbutyl)phenoxy]acetamide?
The InChIKey is LMYKLZRWHLINAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-11(2)8-12-6-5-7-13(9-12)17-10-14(16)15-3/h5-7,9,11H,4,8,10H2,1-3H3,(H,15,16).
What are the key properties of N-methyl-2-[3-(2-methylbutyl)phenoxy]acetamide?
N-methyl-2-[3-(2-methylbutyl)phenoxy]acetamide has a molecular weight of 235.33 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(2-methylbutyl)phenoxy]acetamide is sourced from PubChem (CID 138724732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).