4-(2-ethoxyphenoxy)-N-ethylbutanamide

C14H21NO3 — CID 78781225

IUPAC4-(2-ethoxyphenoxy)-N-ethylbutanamide
SMILESCCNC(=O)CCCOc1ccccc1OCC
InChIInChI=1S/C14H21NO3/c1-3-15-14(16)10-7-11-18-13-9-6-5-8-12(13)17-4-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,15,16)
InChIKeyMFNIXBWLDOOBOG-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.38
Rot. Bonds8

About 4-(2-ethoxyphenoxy)-N-ethylbutanamide

4-(2-ethoxyphenoxy)-N-ethylbutanamide (PubChem CID 78781225) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-N-ethylbutanamide.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-N-ethylbutanamide
PubChem CID78781225
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-(2-ethoxyphenoxy)-N-ethylbutanamide
SMILESCCNC(=O)CCCOc1ccccc1OCC
InChIInChI=1S/C14H21NO3/c1-3-15-14(16)10-7-11-18-13-9-6-5-8-12(13)17-4-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,15,16)
InChIKeyMFNIXBWLDOOBOG-UHFFFAOYSA-N
XLogP2.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-(2-ethoxyphenoxy)butanamide
CID 78774394
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
5-(2-ethoxyphenoxy)pentanehydrazide
CID 63575982
N-cyclopentyl-4-(2-ethoxyphenoxy)butanamide
CID 78781833
4-(2-ethoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 134056527
N-[(2S)-1-aminopropan-2-yl]-4-(2-ethoxyphenoxy)butanamide
CID 120507806
4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
CID 24819647
N-[(4-bromothiophen-2-yl)methyl]-4-(2-ethoxyphenoxy)butanamide
CID 55801604
4-[2-(2-ethoxyphenoxy)ethylamino]-4-oxobutanoate
CID 9156443
4-(2-ethoxyphenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 7928453
4-(2-bromophenoxy)-N'-[2-(2-ethoxyphenoxy)acetyl]butanehydrazide
CID 55738830
4-(2-ethoxyphenoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 51208266

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-N-ethylbutanamide?
The IUPAC name of 4-(2-ethoxyphenoxy)-N-ethylbutanamide (CID 78781225) is 4-(2-ethoxyphenoxy)-N-ethylbutanamide.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-N-ethylbutanamide?
The canonical SMILES for 4-(2-ethoxyphenoxy)-N-ethylbutanamide is CCNC(=O)CCCOc1ccccc1OCC.
What is the InChIKey of 4-(2-ethoxyphenoxy)-N-ethylbutanamide?
The InChIKey is MFNIXBWLDOOBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-15-14(16)10-7-11-18-13-9-6-5-8-12(13)17-4-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,15,16).
What are the key properties of 4-(2-ethoxyphenoxy)-N-ethylbutanamide?
4-(2-ethoxyphenoxy)-N-ethylbutanamide has a molecular weight of 251.33 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-N-ethylbutanamide is sourced from PubChem (CID 78781225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).