2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methoxyethyl)acetamide

C15H23ClN2O3 — CID 62072700

IUPAC2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methoxyethyl)acetamide
SMILESCCNC(C)c1cc(Cl)ccc1OCC(=O)NCCOC
InChIInChI=1S/C15H23ClN2O3/c1-4-17-11(2)13-9-12(16)5-6-14(13)21-10-15(19)18-7-8-20-3/h5-6,9,11,17H,4,7-8,10H2,1-3H3,(H,18,19)
InChIKeyJQICIDGJHKAFST-UHFFFAOYSA-N
MW314.81 g/mol
LogP2.15
Rot. Bonds9

About 2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methoxyethyl)acetamide

2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methoxyethyl)acetamide (PubChem CID 62072700) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methoxyethyl)acetamide
PubChem CID62072700
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methoxyethyl)acetamide
SMILESCCNC(C)c1cc(Cl)ccc1OCC(=O)NCCOC
InChIInChI=1S/C15H23ClN2O3/c1-4-17-11(2)13-9-12(16)5-6-14(13)21-10-15(19)18-7-8-20-3/h5-6,9,11,17H,4,7-8,10H2,1-3H3,(H,18,19)
InChIKeyJQICIDGJHKAFST-UHFFFAOYSA-N
XLogP2.15
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 52.15
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

2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 78931610
2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 2276597
2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-(2-methoxyethyl)acetamide
CID 61485901
2-[2-(1-aminoethyl)-4-chlorophenoxy]-N-ethylacetamide
CID 55031256
3-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]propan-1-ol
CID 62073207
2-[4-[1-(ethylamino)ethyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 61487528
1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine
CID 62074237
2-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide
CID 78933862
2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 62074759
2-[4-chloro-2-[1-(methylamino)ethyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 62074574
2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]-N-cyclopropylacetamide
CID 62074242
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide
CID 78936347

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methoxyethyl)acetamide (CID 62072700) is 2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methoxyethyl)acetamide is CCNC(C)c1cc(Cl)ccc1OCC(=O)NCCOC.
What is the InChIKey of 2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methoxyethyl)acetamide?
The InChIKey is JQICIDGJHKAFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-4-17-11(2)13-9-12(16)5-6-14(13)21-10-15(19)18-7-8-20-3/h5-6,9,11,17H,4,7-8,10H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methoxyethyl)acetamide?
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methoxyethyl)acetamide has a molecular weight of 314.81 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 62072700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).