2-(3-ethylphenoxy)ethyl 2-[(2-chlorobenzoyl)amino]propanoate

C20H22ClNO4 — CID 55307071

IUPAC2-(3-ethylphenoxy)ethyl 2-[(2-chlorobenzoyl)amino]propanoate
SMILESCCc1cccc(OCCOC(=O)C(C)NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C20H22ClNO4/c1-3-15-7-6-8-16(13-15)25-11-12-26-20(24)14(2)22-19(23)17-9-4-5-10-18(17)21/h4-10,13-14H,3,11-12H2,1-2H3,(H,22,23)
InChIKeyHZDZSMZEOLIJQS-UHFFFAOYSA-N
MW375.85 g/mol
LogP3.64
Rot. Bonds8

About 2-(3-ethylphenoxy)ethyl 2-[(2-chlorobenzoyl)amino]propanoate

2-(3-ethylphenoxy)ethyl 2-[(2-chlorobenzoyl)amino]propanoate (PubChem CID 55307071) has the molecular formula C20H22ClNO4 and a molecular weight of 375.85 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)ethyl 2-[(2-chlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Name2-(3-ethylphenoxy)ethyl 2-[(2-chlorobenzoyl)amino]propanoate
PubChem CID55307071
Molecular FormulaC20H22ClNO4
Molecular Weight375.85 g/mol
Exact Mass375.12
IUPAC Name2-(3-ethylphenoxy)ethyl 2-[(2-chlorobenzoyl)amino]propanoate
SMILESCCc1cccc(OCCOC(=O)C(C)NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C20H22ClNO4/c1-3-15-7-6-8-16(13-15)25-11-12-26-20(24)14(2)22-19(23)17-9-4-5-10-18(17)21/h4-10,13-14H,3,11-12H2,1-2H3,(H,22,23)
InChIKeyHZDZSMZEOLIJQS-UHFFFAOYSA-N
XLogP3.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 53.64
H-Bond Donors ≤ 51
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-chlorophenoxy)ethyl (2R)-2-[(2-chlorobenzoyl)amino]propanoate
CID 2575810
2-(4-chlorophenoxy)ethyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 2575812
octadecyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 20837400
heptyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 20836974
4-methylpentyl 2-[(2-chlorobenzoyl)amino]propanoate
CID 91716474
2-(3-ethylphenoxy)ethyl 2-[(2-fluorobenzoyl)amino]acetate
CID 55316806
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570879
2-(3-ethylphenoxy)ethyl 2-methylsulfonylbenzoate
CID 55310389
2-(4-chlorophenoxy)ethyl (2S)-2-benzamidopropanoate
CID 7571927
2-(3-ethylphenoxy)ethyl 2-nitrobenzoate
CID 55319024
2-(3-ethylphenoxy)ethyl 2-chloro-5-nitrobenzoate
CID 55318710
2-(3-ethylphenoxy)ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55316536

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)ethyl 2-[(2-chlorobenzoyl)amino]propanoate?
The IUPAC name of 2-(3-ethylphenoxy)ethyl 2-[(2-chlorobenzoyl)amino]propanoate (CID 55307071) is 2-(3-ethylphenoxy)ethyl 2-[(2-chlorobenzoyl)amino]propanoate.
What is the SMILES notation for 2-(3-ethylphenoxy)ethyl 2-[(2-chlorobenzoyl)amino]propanoate?
The canonical SMILES for 2-(3-ethylphenoxy)ethyl 2-[(2-chlorobenzoyl)amino]propanoate is CCc1cccc(OCCOC(=O)C(C)NC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-(3-ethylphenoxy)ethyl 2-[(2-chlorobenzoyl)amino]propanoate?
The InChIKey is HZDZSMZEOLIJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO4/c1-3-15-7-6-8-16(13-15)25-11-12-26-20(24)14(2)22-19(23)17-9-4-5-10-18(17)21/h4-10,13-14H,3,11-12H2,1-2H3,(H,22,23).
What are the key properties of 2-(3-ethylphenoxy)ethyl 2-[(2-chlorobenzoyl)amino]propanoate?
2-(3-ethylphenoxy)ethyl 2-[(2-chlorobenzoyl)amino]propanoate has a molecular weight of 375.85 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)ethyl 2-[(2-chlorobenzoyl)amino]propanoate is sourced from PubChem (CID 55307071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).