[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate

C20H21ClN2O4 — CID 8611810

IUPAC[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCC(=O)N[C@@H](C)c2ccccc2Cl)cc1
InChIInChI=1S/C20H21ClN2O4/c1-13(17-5-3-4-6-18(17)21)22-19(25)12-27-20(26)11-15-7-9-16(10-8-15)23-14(2)24/h3-10,13H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t13-/m0/s1
InChIKeyDZVRPGXGVZLUAL-ZDUSSCGKSA-N
MW388.85 g/mol
LogP3.26
Rot. Bonds7

About [2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate

[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate (PubChem CID 8611810) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is [2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
PubChem CID8611810
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC Name[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCC(=O)N[C@@H](C)c2ccccc2Cl)cc1
InChIInChI=1S/C20H21ClN2O4/c1-13(17-5-3-4-6-18(17)21)22-19(25)12-27-20(26)11-15-7-9-16(10-8-15)23-14(2)24/h3-10,13H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t13-/m0/s1
InChIKeyDZVRPGXGVZLUAL-ZDUSSCGKSA-N
XLogP3.26
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate with MolForge

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Related Compounds

[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-acetamidobenzoate
CID 7654378
[2-(2-chloroanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608586
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(4-acetamidophenyl)acetate
CID 8609852
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 7697704
[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8672062
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(4-chlorophenyl)acetate
CID 2390853
(2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate
CID 8608168
[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8613267
4-acetamido-N-[(1R)-1-(2-chlorophenyl)ethyl]benzamide
CID 27769015
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 8663056
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 3,4-dichlorobenzoate
CID 7873545
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7252037

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
The IUPAC name of [2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate (CID 8611810) is [2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for [2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
The canonical SMILES for [2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate is CC(=O)Nc1ccc(CC(=O)OCC(=O)N[C@@H](C)c2ccccc2Cl)cc1.
What is the InChIKey of [2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
The InChIKey is DZVRPGXGVZLUAL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c1-13(17-5-3-4-6-18(17)21)22-19(25)12-27-20(26)11-15-7-9-16(10-8-15)23-14(2)24/h3-10,13H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t13-/m0/s1.
What are the key properties of [2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate has a molecular weight of 388.85 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 8611810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).