2-(2-methylphenoxy)-N-propylbutanamide

C14H21NO2 — CID 43909851

IUPAC2-(2-methylphenoxy)-N-propylbutanamide
SMILESCCCNC(=O)C(CC)Oc1ccccc1C
InChIInChI=1S/C14H21NO2/c1-4-10-15-14(16)12(5-2)17-13-9-7-6-8-11(13)3/h6-9,12H,4-5,10H2,1-3H3,(H,15,16)
InChIKeyBVEYAMGGSVIDFA-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.68
Rot. Bonds6

About 2-(2-methylphenoxy)-N-propylbutanamide

2-(2-methylphenoxy)-N-propylbutanamide (PubChem CID 43909851) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-propylbutanamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-propylbutanamide
PubChem CID43909851
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(2-methylphenoxy)-N-propylbutanamide
SMILESCCCNC(=O)C(CC)Oc1ccccc1C
InChIInChI=1S/C14H21NO2/c1-4-10-15-14(16)12(5-2)17-13-9-7-6-8-11(13)3/h6-9,12H,4-5,10H2,1-3H3,(H,15,16)
InChIKeyBVEYAMGGSVIDFA-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-butyl-2-(2-methylphenoxy)butanamide
CID 30398295
3-[2-(2-methylphenoxy)butanoylamino]propanoic acid
CID 119351050
4-[2-(2-methylphenoxy)butanoylamino]butanoic acid
CID 119352556
N-[3-(methylamino)propyl]-2-(2-methylphenoxy)butanamide;hydrochloride
CID 119434352
2-(2,4-dimethylphenoxy)-N-propylbutanamide
CID 20682013
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
(2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 93487721
2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide
CID 132655453
N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide
CID 53284919
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide
CID 92682211
2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]butanamide
CID 133239906
(2R)-2-(2-methylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 93486249

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-propylbutanamide?
The IUPAC name of 2-(2-methylphenoxy)-N-propylbutanamide (CID 43909851) is 2-(2-methylphenoxy)-N-propylbutanamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-propylbutanamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-propylbutanamide is CCCNC(=O)C(CC)Oc1ccccc1C.
What is the InChIKey of 2-(2-methylphenoxy)-N-propylbutanamide?
The InChIKey is BVEYAMGGSVIDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-10-15-14(16)12(5-2)17-13-9-7-6-8-11(13)3/h6-9,12H,4-5,10H2,1-3H3,(H,15,16).
What are the key properties of 2-(2-methylphenoxy)-N-propylbutanamide?
2-(2-methylphenoxy)-N-propylbutanamide has a molecular weight of 235.33 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-propylbutanamide is sourced from PubChem (CID 43909851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).