2-[2-methyl-6-(3-methylbutoxy)phenyl]acetamide

C14H21NO2 — CID 70425140

IUPAC2-[2-methyl-6-(3-methylbutoxy)phenyl]acetamide
SMILESCc1cccc(OCCC(C)C)c1CC(N)=O
InChIInChI=1S/C14H21NO2/c1-10(2)7-8-17-13-6-4-5-11(3)12(13)9-14(15)16/h4-6,10H,7-9H2,1-3H3,(H2,15,16)
InChIKeyUWADOSALHTUXIB-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.45
Rot. Bonds6

About 2-[2-methyl-6-(3-methylbutoxy)phenyl]acetamide

2-[2-methyl-6-(3-methylbutoxy)phenyl]acetamide (PubChem CID 70425140) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[2-methyl-6-(3-methylbutoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-methyl-6-(3-methylbutoxy)phenyl]acetamide
PubChem CID70425140
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[2-methyl-6-(3-methylbutoxy)phenyl]acetamide
SMILESCc1cccc(OCCC(C)C)c1CC(N)=O
InChIInChI=1S/C14H21NO2/c1-10(2)7-8-17-13-6-4-5-11(3)12(13)9-14(15)16/h4-6,10H,7-9H2,1-3H3,(H2,15,16)
InChIKeyUWADOSALHTUXIB-UHFFFAOYSA-N
XLogP2.45
TPSA52.32 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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(bromomethyl)-2-(3-methylbutoxy)benzene
CID 43141565
1-ethyl-2,3-bis(3-methylbutoxy)benzene
CID 91472485
1,2-dimethyl-3-(4-methylpentoxy)benzene
CID 103432295
2-methyl-N-[4-[[2-(3-methylbutoxy)benzoyl]amino]phenyl]benzamide
CID 17251615
2-[2-(4-methylpentoxy)phenyl]acetic acid
CID 83153029
(2S)-2-amino-3,3-dimethyl-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride
CID 119759025
2-(4-aminophenyl)-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide
CID 119759010
2-chloro-N-[2-methyl-6-(3-methylbutoxy)phenyl]-N-(2-methylpropoxymethyl)acetamide
CID 21299009
methyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate
CID 107660515
ethyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate
CID 107660550
4-(2-ethyl-3-methylphenoxy)-1,1,1-trifluorobutan-2-amine
CID 118408678
2-(2-methyl-6-phenylmethoxyphenyl)acetic acid
CID 14519888

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-(3-methylbutoxy)phenyl]acetamide?
The IUPAC name of 2-[2-methyl-6-(3-methylbutoxy)phenyl]acetamide (CID 70425140) is 2-[2-methyl-6-(3-methylbutoxy)phenyl]acetamide.
What is the SMILES notation for 2-[2-methyl-6-(3-methylbutoxy)phenyl]acetamide?
The canonical SMILES for 2-[2-methyl-6-(3-methylbutoxy)phenyl]acetamide is Cc1cccc(OCCC(C)C)c1CC(N)=O.
What is the InChIKey of 2-[2-methyl-6-(3-methylbutoxy)phenyl]acetamide?
The InChIKey is UWADOSALHTUXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)7-8-17-13-6-4-5-11(3)12(13)9-14(15)16/h4-6,10H,7-9H2,1-3H3,(H2,15,16).
What are the key properties of 2-[2-methyl-6-(3-methylbutoxy)phenyl]acetamide?
2-[2-methyl-6-(3-methylbutoxy)phenyl]acetamide has a molecular weight of 235.33 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-(3-methylbutoxy)phenyl]acetamide is sourced from PubChem (CID 70425140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).