[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2-chlorophenoxy)acetate

C20H22ClNO4 — CID 7519105

IUPAC[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2-chlorophenoxy)acetate
SMILESCCC[C@@H](NC(=O)COC(=O)COc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C20H22ClNO4/c1-2-8-17(15-9-4-3-5-10-15)22-19(23)13-26-20(24)14-25-18-12-7-6-11-16(18)21/h3-7,9-12,17H,2,8,13-14H2,1H3,(H,22,23)/t17-/m1/s1
InChIKeyOEEFDUDLJLJSKU-QGZVFWFLSA-N
MW375.85 g/mol
LogP3.92
Rot. Bonds9

About [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2-chlorophenoxy)acetate

[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2-chlorophenoxy)acetate (PubChem CID 7519105) has the molecular formula C20H22ClNO4 and a molecular weight of 375.85 g/mol. Its IUPAC name is [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2-chlorophenoxy)acetate
PubChem CID7519105
Molecular FormulaC20H22ClNO4
Molecular Weight375.85 g/mol
Exact Mass375.12
IUPAC Name[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2-chlorophenoxy)acetate
SMILESCCC[C@@H](NC(=O)COC(=O)COc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C20H22ClNO4/c1-2-8-17(15-9-4-3-5-10-15)22-19(23)13-26-20(24)14-25-18-12-7-6-11-16(18)21/h3-7,9-12,17H,2,8,13-14H2,1H3,(H,22,23)/t17-/m1/s1
InChIKeyOEEFDUDLJLJSKU-QGZVFWFLSA-N
XLogP3.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2-chlorophenoxy)acetate with MolForge

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Related Compounds

[2-oxo-2-(1-phenylbutylamino)ethyl] 2-(2-chlorophenoxy)acetate
CID 55366701
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-(2,4-dichlorophenoxy)acetate
CID 7516791
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7519168
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7519166
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 7519916
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 7518789
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 7847240
2-(2-chlorophenoxy)-N-[(1S)-2-(dimethylamino)-1-phenylethyl]acetamide
CID 8936701
2-[[2-(2-chlorophenoxy)acetyl]amino]pentanoic acid
CID 43630726
[2-oxo-2-(1-phenylbutylamino)ethyl] 2,6-dimethoxybenzoate
CID 55365140
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 4-chlorobenzoate
CID 7594546
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7519378

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2-chlorophenoxy)acetate?
The IUPAC name of [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2-chlorophenoxy)acetate (CID 7519105) is [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2-chlorophenoxy)acetate.
What is the SMILES notation for [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2-chlorophenoxy)acetate?
The canonical SMILES for [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2-chlorophenoxy)acetate is CCC[C@@H](NC(=O)COC(=O)COc1ccccc1Cl)c1ccccc1.
What is the InChIKey of [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2-chlorophenoxy)acetate?
The InChIKey is OEEFDUDLJLJSKU-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22ClNO4/c1-2-8-17(15-9-4-3-5-10-15)22-19(23)13-26-20(24)14-25-18-12-7-6-11-16(18)21/h3-7,9-12,17H,2,8,13-14H2,1H3,(H,22,23)/t17-/m1/s1.
What are the key properties of [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2-chlorophenoxy)acetate?
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2-chlorophenoxy)acetate has a molecular weight of 375.85 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2-chlorophenoxy)acetate is sourced from PubChem (CID 7519105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).