4-(2-ethylphenoxy)butanamide

C12H17NO2 — CID 82040636

IUPAC4-(2-ethylphenoxy)butanamide
SMILESCCc1ccccc1OCCCC(N)=O
InChIInChI=1S/C12H17NO2/c1-2-10-6-3-4-7-11(10)15-9-5-8-12(13)14/h3-4,6-7H,2,5,8-9H2,1H3,(H2,13,14)
InChIKeyDPIRBAMZQPDPGM-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.89
Rot. Bonds6

About 4-(2-ethylphenoxy)butanamide

4-(2-ethylphenoxy)butanamide (PubChem CID 82040636) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-(2-ethylphenoxy)butanamide.

Molecular Properties

Compound Name4-(2-ethylphenoxy)butanamide
PubChem CID82040636
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-(2-ethylphenoxy)butanamide
SMILESCCc1ccccc1OCCCC(N)=O
InChIInChI=1S/C12H17NO2/c1-2-10-6-3-4-7-11(10)15-9-5-8-12(13)14/h3-4,6-7H,2,5,8-9H2,1H3,(H2,13,14)
InChIKeyDPIRBAMZQPDPGM-UHFFFAOYSA-N
XLogP1.89
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.89
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

5-(2-ethylphenoxy)pentanoic acid
CID 43351498
5-(2-ethylphenoxy)pentanehydrazide
CID 63569442
3-[2-(ethylaminomethyl)phenoxy]propanamide
CID 43277204
5-(2-ethylphenoxy)pentan-1-ol
CID 62228052
ethane;1-ethyl-2-(2-fluoroethoxy)benzene
CID 170716854
1-(3-bromopropoxy)-2-ethylbenzene
CID 43364278
1-ethyl-2-heptoxybenzene
CID 22723794
N-(3-aminopropyl)-3-(2-ethylphenoxy)-N-methylpropanamide
CID 43254471
3-[2-(2-aminobutyl)phenoxy]propanamide
CID 60907585
3-[3-(2-ethylphenoxy)propoxy]propan-1-amine
CID 82353346
1-(2-chloroethoxy)-2-ethylbenzene
CID 43173826
3-(2-ethylphenoxy)-2-methylpropanamide
CID 64765862

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylphenoxy)butanamide?
The IUPAC name of 4-(2-ethylphenoxy)butanamide (CID 82040636) is 4-(2-ethylphenoxy)butanamide.
What is the SMILES notation for 4-(2-ethylphenoxy)butanamide?
The canonical SMILES for 4-(2-ethylphenoxy)butanamide is CCc1ccccc1OCCCC(N)=O.
What is the InChIKey of 4-(2-ethylphenoxy)butanamide?
The InChIKey is DPIRBAMZQPDPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-10-6-3-4-7-11(10)15-9-5-8-12(13)14/h3-4,6-7H,2,5,8-9H2,1H3,(H2,13,14).
What are the key properties of 4-(2-ethylphenoxy)butanamide?
4-(2-ethylphenoxy)butanamide has a molecular weight of 207.27 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylphenoxy)butanamide is sourced from PubChem (CID 82040636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).