N-ethyl-4-(4-methoxyphenoxy)butanamide

C13H19NO3 — CID 21173657

IUPACN-ethyl-4-(4-methoxyphenoxy)butanamide
SMILESCCNC(=O)CCCOc1ccc(OC)cc1
InChIInChI=1S/C13H19NO3/c1-3-14-13(15)5-4-10-17-12-8-6-11(16-2)7-9-12/h6-9H,3-5,10H2,1-2H3,(H,14,15)
InChIKeyWIXICZOCKJUWGM-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.99
Rot. Bonds7

About N-ethyl-4-(4-methoxyphenoxy)butanamide

N-ethyl-4-(4-methoxyphenoxy)butanamide (PubChem CID 21173657) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-ethyl-4-(4-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-ethyl-4-(4-methoxyphenoxy)butanamide
PubChem CID21173657
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-ethyl-4-(4-methoxyphenoxy)butanamide
SMILESCCNC(=O)CCCOc1ccc(OC)cc1
InChIInChI=1S/C13H19NO3/c1-3-14-13(15)5-4-10-17-12-8-6-11(16-2)7-9-12/h6-9H,3-5,10H2,1-2H3,(H,14,15)
InChIKeyWIXICZOCKJUWGM-UHFFFAOYSA-N
XLogP1.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.99
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-[2-(ethylamino)ethyl]-4-(4-methoxyphenoxy)butanamide;hydrochloride
CID 119504704
N-(2-amino-2-methylpropyl)-4-(4-methoxyphenoxy)butanamide
CID 119625857
N-(2-aminopropyl)-4-(4-methoxyphenoxy)butanamide
CID 82354195
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
N-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride
CID 119747931
N-butan-2-yl-4-(4-methoxyphenoxy)butanamide
CID 19175097
N-(2-ethylhexyl)-4-(4-methoxyphenoxy)butanamide
CID 2791782
N-[2-(ethylamino)ethyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride
CID 119505213
N-[2-(2-ethylanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)butanamide
CID 26905201
3-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 60630698
4-[3-(ethylamino)-3-oxopropoxy]benzoic acid
CID 62325269
4-(4-methoxyphenoxy)-N-(3-pyrazol-1-ylpropyl)butanamide
CID 37394128

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-methoxyphenoxy)butanamide?
The IUPAC name of N-ethyl-4-(4-methoxyphenoxy)butanamide (CID 21173657) is N-ethyl-4-(4-methoxyphenoxy)butanamide.
What is the SMILES notation for N-ethyl-4-(4-methoxyphenoxy)butanamide?
The canonical SMILES for N-ethyl-4-(4-methoxyphenoxy)butanamide is CCNC(=O)CCCOc1ccc(OC)cc1.
What is the InChIKey of N-ethyl-4-(4-methoxyphenoxy)butanamide?
The InChIKey is WIXICZOCKJUWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-14-13(15)5-4-10-17-12-8-6-11(16-2)7-9-12/h6-9H,3-5,10H2,1-2H3,(H,14,15).
What are the key properties of N-ethyl-4-(4-methoxyphenoxy)butanamide?
N-ethyl-4-(4-methoxyphenoxy)butanamide has a molecular weight of 237.30 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-methoxyphenoxy)butanamide is sourced from PubChem (CID 21173657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).