2-[4-[1-(ethylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide

C17H28N2O2 — CID 61486666

IUPAC2-[4-[1-(ethylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide
SMILESCCNC(C)c1ccc(OCC(=O)NC(CC)CC)cc1
InChIInChI=1S/C17H28N2O2/c1-5-15(6-2)19-17(20)12-21-16-10-8-14(9-11-16)13(4)18-7-3/h8-11,13,15,18H,5-7,12H2,1-4H3,(H,19,20)
InChIKeyVSUUXGILHCUAKG-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.04
Rot. Bonds9

About 2-[4-[1-(ethylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide

2-[4-[1-(ethylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide (PubChem CID 61486666) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[4-[1-(ethylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[4-[1-(ethylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide
PubChem CID61486666
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[4-[1-(ethylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide
SMILESCCNC(C)c1ccc(OCC(=O)NC(CC)CC)cc1
InChIInChI=1S/C17H28N2O2/c1-5-15(6-2)19-17(20)12-21-16-10-8-14(9-11-16)13(4)18-7-3/h8-11,13,15,18H,5-7,12H2,1-4H3,(H,19,20)
InChIKeyVSUUXGILHCUAKG-UHFFFAOYSA-N
XLogP3.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-hydroxyethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61489740
2-(4-methoxyphenoxy)-N-pentan-3-ylacetamide
CID 877838
2-[4-[1-(ethylamino)ethyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 61487528
2-(4-acetylphenoxy)-N-pentan-3-ylacetamide
CID 60625311
2-[4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61486986
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide
CID 9218863
N-ethyl-2-[4-[1-(ethylamino)propyl]phenoxy]acetamide
CID 43280159
2-naphthalen-2-yloxy-N-pentan-3-ylacetamide
CID 24951700
3-[4-[2-oxo-2-(pentan-3-ylamino)ethoxy]phenyl]prop-2-enoic acid
CID 76905164
N-[1-(4-ethylphenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 110876929
N-[1-(4-ethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17326918
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7948935

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(ethylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[4-[1-(ethylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide (CID 61486666) is 2-[4-[1-(ethylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[4-[1-(ethylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[4-[1-(ethylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide is CCNC(C)c1ccc(OCC(=O)NC(CC)CC)cc1.
What is the InChIKey of 2-[4-[1-(ethylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide?
The InChIKey is VSUUXGILHCUAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-15(6-2)19-17(20)12-21-16-10-8-14(9-11-16)13(4)18-7-3/h8-11,13,15,18H,5-7,12H2,1-4H3,(H,19,20).
What are the key properties of 2-[4-[1-(ethylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide?
2-[4-[1-(ethylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide has a molecular weight of 292.42 g/mol, XLogP of 3.04, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(ethylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide is sourced from PubChem (CID 61486666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).