4-[4-[3-(ethylamino)butyl]phenoxy]-N-methylbutanamide

C17H28N2O2 — CID 63892865

IUPAC4-[4-[3-(ethylamino)butyl]phenoxy]-N-methylbutanamide
SMILESCCNC(C)CCc1ccc(OCCCC(=O)NC)cc1
InChIInChI=1S/C17H28N2O2/c1-4-19-14(2)7-8-15-9-11-16(12-10-15)21-13-5-6-17(20)18-3/h9-12,14,19H,4-8,13H2,1-3H3,(H,18,20)
InChIKeyHZXFBNYONADZER-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.52
Rot. Bonds10

About 4-[4-[3-(ethylamino)butyl]phenoxy]-N-methylbutanamide

4-[4-[3-(ethylamino)butyl]phenoxy]-N-methylbutanamide (PubChem CID 63892865) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-[4-[3-(ethylamino)butyl]phenoxy]-N-methylbutanamide.

Molecular Properties

Compound Name4-[4-[3-(ethylamino)butyl]phenoxy]-N-methylbutanamide
PubChem CID63892865
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name4-[4-[3-(ethylamino)butyl]phenoxy]-N-methylbutanamide
SMILESCCNC(C)CCc1ccc(OCCCC(=O)NC)cc1
InChIInChI=1S/C17H28N2O2/c1-4-19-14(2)7-8-15-9-11-16(12-10-15)21-13-5-6-17(20)18-3/h9-12,14,19H,4-8,13H2,1-3H3,(H,18,20)
InChIKeyHZXFBNYONADZER-UHFFFAOYSA-N
XLogP2.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[4-[3-(ethylamino)butyl]phenoxy]butanoate
CID 60881948
4-(4-ethoxyphenyl)-N-ethylbutan-2-amine
CID 43279773
2-[4-[3-(ethylamino)butyl]phenoxy]-N-propylacetamide
CID 43279784
N-methyl-4-[4-(methylaminomethyl)phenoxy]butanamide
CID 63892447
4-(4-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120653275
4-[4-(2-fluoroethoxy)phenyl]-N-propylbutan-2-amine
CID 80699637
2-[4-[3-(ethylamino)butyl]phenoxy]-N,N-dimethylpropanamide
CID 43279779
N-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride
CID 120651118
N-[(2R)-2-(ethylamino)propyl]-4-(4-methoxyphenyl)butanamide
CID 120652211
N-methyl-5-(4-methylphenoxy)pentanamide
CID 134582282
N-methyl-4-(4-methylphenoxy)butanamide;N-methyl-2-[2-(4-methylphenyl)ethoxy]acetamide;N-methyl-2-[(4-methylphenyl)methoxy]acetamide
CID 159463012
4-(4-butoxyphenyl)-N-propan-2-ylbutan-2-amine;hydrochloride
CID 19885187

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(ethylamino)butyl]phenoxy]-N-methylbutanamide?
The IUPAC name of 4-[4-[3-(ethylamino)butyl]phenoxy]-N-methylbutanamide (CID 63892865) is 4-[4-[3-(ethylamino)butyl]phenoxy]-N-methylbutanamide.
What is the SMILES notation for 4-[4-[3-(ethylamino)butyl]phenoxy]-N-methylbutanamide?
The canonical SMILES for 4-[4-[3-(ethylamino)butyl]phenoxy]-N-methylbutanamide is CCNC(C)CCc1ccc(OCCCC(=O)NC)cc1.
What is the InChIKey of 4-[4-[3-(ethylamino)butyl]phenoxy]-N-methylbutanamide?
The InChIKey is HZXFBNYONADZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-19-14(2)7-8-15-9-11-16(12-10-15)21-13-5-6-17(20)18-3/h9-12,14,19H,4-8,13H2,1-3H3,(H,18,20).
What are the key properties of 4-[4-[3-(ethylamino)butyl]phenoxy]-N-methylbutanamide?
4-[4-[3-(ethylamino)butyl]phenoxy]-N-methylbutanamide has a molecular weight of 292.42 g/mol, XLogP of 2.52, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(ethylamino)butyl]phenoxy]-N-methylbutanamide is sourced from PubChem (CID 63892865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).