[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2-chloro-5-methylphenoxy)acetate

C21H22ClNO5 — CID 7570561

IUPAC[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2-chloro-5-methylphenoxy)acetate
SMILESCC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)COc1cc(C)ccc1Cl
InChIInChI=1S/C21H22ClNO5/c1-14-8-9-17(22)19(10-14)27-13-21(26)28-12-20(25)23-18(15(2)24)11-16-6-4-3-5-7-16/h3-10,18H,11-13H2,1-2H3,(H,23,25)/t18-/m1/s1
InChIKeyNDNCKHWYCDPKPV-GOSISDBHSA-N
MW403.86 g/mol
LogP2.89
Rot. Bonds9

About [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2-chloro-5-methylphenoxy)acetate

[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2-chloro-5-methylphenoxy)acetate (PubChem CID 7570561) has the molecular formula C21H22ClNO5 and a molecular weight of 403.86 g/mol. Its IUPAC name is [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2-chloro-5-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2-chloro-5-methylphenoxy)acetate
PubChem CID7570561
Molecular FormulaC21H22ClNO5
Molecular Weight403.86 g/mol
Exact Mass403.12
IUPAC Name[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2-chloro-5-methylphenoxy)acetate
SMILESCC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)COc1cc(C)ccc1Cl
InChIInChI=1S/C21H22ClNO5/c1-14-8-9-17(22)19(10-14)27-13-21(26)28-12-20(25)23-18(15(2)24)11-16-6-4-3-5-7-16/h3-10,18H,11-13H2,1-2H3,(H,23,25)/t18-/m1/s1
InChIKeyNDNCKHWYCDPKPV-GOSISDBHSA-N
XLogP2.89
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.86
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2-chloro-5-methylphenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2-fluorophenoxy)acetate
CID 9140307
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(3,4-dimethylphenoxy)acetate
CID 8923894
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7676096
[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 42982229
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7213084
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7954012
[2-(2-methoxyanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7234832
ethyl 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-phenylpropanoate
CID 43877584
2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]butanoic acid
CID 43387304
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7570439
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-methoxybenzoate
CID 7811805
methyl 4-[[2-[2-(2-chloro-5-methylphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7570532

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2-chloro-5-methylphenoxy)acetate?
The IUPAC name of [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2-chloro-5-methylphenoxy)acetate (CID 7570561) is [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2-chloro-5-methylphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2-chloro-5-methylphenoxy)acetate?
The canonical SMILES for [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2-chloro-5-methylphenoxy)acetate is CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)COc1cc(C)ccc1Cl.
What is the InChIKey of [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2-chloro-5-methylphenoxy)acetate?
The InChIKey is NDNCKHWYCDPKPV-GOSISDBHSA-N. The full InChI is InChI=1S/C21H22ClNO5/c1-14-8-9-17(22)19(10-14)27-13-21(26)28-12-20(25)23-18(15(2)24)11-16-6-4-3-5-7-16/h3-10,18H,11-13H2,1-2H3,(H,23,25)/t18-/m1/s1.
What are the key properties of [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2-chloro-5-methylphenoxy)acetate?
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2-chloro-5-methylphenoxy)acetate has a molecular weight of 403.86 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2-chloro-5-methylphenoxy)acetate is sourced from PubChem (CID 7570561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).