4-(4-ethoxyphenoxy)-N-[2-(methylamino)ethyl]butanamide

C15H24N2O3 — CID 119500483

IUPAC4-(4-ethoxyphenoxy)-N-[2-(methylamino)ethyl]butanamide
SMILESCCOc1ccc(OCCCC(=O)NCCNC)cc1
InChIInChI=1S/C15H24N2O3/c1-3-19-13-6-8-14(9-7-13)20-12-4-5-15(18)17-11-10-16-2/h6-9,16H,3-5,10-12H2,1-2H3,(H,17,18)
InChIKeyVFYNOBGNIZXRNK-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.58
Rot. Bonds10

About 4-(4-ethoxyphenoxy)-N-[2-(methylamino)ethyl]butanamide

4-(4-ethoxyphenoxy)-N-[2-(methylamino)ethyl]butanamide (PubChem CID 119500483) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(4-ethoxyphenoxy)-N-[2-(methylamino)ethyl]butanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenoxy)-N-[2-(methylamino)ethyl]butanamide
PubChem CID119500483
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-(4-ethoxyphenoxy)-N-[2-(methylamino)ethyl]butanamide
SMILESCCOc1ccc(OCCCC(=O)NCCNC)cc1
InChIInChI=1S/C15H24N2O3/c1-3-19-13-6-8-14(9-7-13)20-12-4-5-15(18)17-11-10-16-2/h6-9,16H,3-5,10-12H2,1-2H3,(H,17,18)
InChIKeyVFYNOBGNIZXRNK-UHFFFAOYSA-N
XLogP1.58
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-4-(4-ethoxyphenoxy)butanamide
CID 119382448
4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
CID 24819647
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
N-[2-(methylamino)ethyl]-3-(4-propoxyphenyl)propanamide
CID 119502671
N-[2-(ethylamino)ethyl]-4-(4-methoxyphenoxy)butanamide;hydrochloride
CID 119504704
4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide
CID 119722655
N-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride
CID 119747931
4-(methylamino)-N-[3-(4-methylphenoxy)propyl]butanamide;hydrochloride
CID 119757236
4-(4-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119445383
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]butanamide
CID 108573115
N-ethyl-4-(4-methoxyphenoxy)butanamide
CID 21173657
N-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119670696

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenoxy)-N-[2-(methylamino)ethyl]butanamide?
The IUPAC name of 4-(4-ethoxyphenoxy)-N-[2-(methylamino)ethyl]butanamide (CID 119500483) is 4-(4-ethoxyphenoxy)-N-[2-(methylamino)ethyl]butanamide.
What is the SMILES notation for 4-(4-ethoxyphenoxy)-N-[2-(methylamino)ethyl]butanamide?
The canonical SMILES for 4-(4-ethoxyphenoxy)-N-[2-(methylamino)ethyl]butanamide is CCOc1ccc(OCCCC(=O)NCCNC)cc1.
What is the InChIKey of 4-(4-ethoxyphenoxy)-N-[2-(methylamino)ethyl]butanamide?
The InChIKey is VFYNOBGNIZXRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-19-13-6-8-14(9-7-13)20-12-4-5-15(18)17-11-10-16-2/h6-9,16H,3-5,10-12H2,1-2H3,(H,17,18).
What are the key properties of 4-(4-ethoxyphenoxy)-N-[2-(methylamino)ethyl]butanamide?
4-(4-ethoxyphenoxy)-N-[2-(methylamino)ethyl]butanamide has a molecular weight of 280.37 g/mol, XLogP of 1.58, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenoxy)-N-[2-(methylamino)ethyl]butanamide is sourced from PubChem (CID 119500483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).