2-(2-methylphenoxy)-N-pentylacetamide

C14H21NO2 — CID 110756249

IUPAC2-(2-methylphenoxy)-N-pentylacetamide
SMILESCCCCCNC(=O)COc1ccccc1C
InChIInChI=1S/C14H21NO2/c1-3-4-7-10-15-14(16)11-17-13-9-6-5-8-12(13)2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,15,16)
InChIKeyDVPGIFXIIWGHJU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.68
Rot. Bonds7

About 2-(2-methylphenoxy)-N-pentylacetamide

2-(2-methylphenoxy)-N-pentylacetamide (PubChem CID 110756249) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-pentylacetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-pentylacetamide
PubChem CID110756249
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(2-methylphenoxy)-N-pentylacetamide
SMILESCCCCCNC(=O)COc1ccccc1C
InChIInChI=1S/C14H21NO2/c1-3-4-7-10-15-14(16)11-17-13-9-6-5-8-12(13)2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,15,16)
InChIKeyDVPGIFXIIWGHJU-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-2-(2-methoxyphenoxy)acetamide
CID 19169780
2-(2,5-dimethylphenoxy)-N-heptylacetamide
CID 3468528
2-(2-amino-3-methylphenoxy)-N-butylacetamide
CID 54956172
2-(2-bromophenoxy)-N-butylacetamide
CID 55029150
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
N-[2-(2-hydroxyethoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 60654502
2-(5-amino-2-methylphenoxy)-N-butylacetamide
CID 54956173
N-butyl-2-(2-tert-butylphenoxy)acetamide
CID 7676560
N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 47102199
N-[2-(2-fluorophenoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 18113601
2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233348
2-(2,6-dimethylphenoxy)-N-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide
CID 3463804

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-pentylacetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-pentylacetamide (CID 110756249) is 2-(2-methylphenoxy)-N-pentylacetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-pentylacetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-pentylacetamide is CCCCCNC(=O)COc1ccccc1C.
What is the InChIKey of 2-(2-methylphenoxy)-N-pentylacetamide?
The InChIKey is DVPGIFXIIWGHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-4-7-10-15-14(16)11-17-13-9-6-5-8-12(13)2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-methylphenoxy)-N-pentylacetamide?
2-(2-methylphenoxy)-N-pentylacetamide has a molecular weight of 235.33 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-pentylacetamide is sourced from PubChem (CID 110756249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).