[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate

C21H22N2O6 — CID 8736036

IUPAC[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
SMILESCOc1ccccc1C(=O)NCC(=O)O[C@@H](C)C(=O)Nc1ccccc1C(C)=O
InChIInChI=1S/C21H22N2O6/c1-13(24)15-8-4-6-10-17(15)23-20(26)14(2)29-19(25)12-22-21(27)16-9-5-7-11-18(16)28-3/h4-11,14H,12H2,1-3H3,(H,22,27)(H,23,26)/t14-/m0/s1
InChIKeyUHSQJUDFAIRMEW-AWEZNQCLSA-N
MW398.42 g/mol
LogP2.20
Rot. Bonds8

About [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate

[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate (PubChem CID 8736036) has the molecular formula C21H22N2O6 and a molecular weight of 398.42 g/mol. Its IUPAC name is [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
PubChem CID8736036
Molecular FormulaC21H22N2O6
Molecular Weight398.42 g/mol
Exact Mass398.15
IUPAC Name[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
SMILESCOc1ccccc1C(=O)NCC(=O)O[C@@H](C)C(=O)Nc1ccccc1C(C)=O
InChIInChI=1S/C21H22N2O6/c1-13(24)15-8-4-6-10-17(15)23-20(26)14(2)29-19(25)12-22-21(27)16-9-5-7-11-18(16)28-3/h4-11,14H,12H2,1-3H3,(H,22,27)(H,23,26)/t14-/m0/s1
InChIKeyUHSQJUDFAIRMEW-AWEZNQCLSA-N
XLogP2.20
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate with MolForge

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Related Compounds

[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 46793493
[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8735942
[1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 46622593
[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 8886418
[(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8735990
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8735955
[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8736034
[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8735926
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8736013
[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8735984
[(2S)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8736003
[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 46621802

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate?
The IUPAC name of [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate (CID 8736036) is [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate?
The canonical SMILES for [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate is COc1ccccc1C(=O)NCC(=O)O[C@@H](C)C(=O)Nc1ccccc1C(C)=O.
What is the InChIKey of [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate?
The InChIKey is UHSQJUDFAIRMEW-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H22N2O6/c1-13(24)15-8-4-6-10-17(15)23-20(26)14(2)29-19(25)12-22-21(27)16-9-5-7-11-18(16)28-3/h4-11,14H,12H2,1-3H3,(H,22,27)(H,23,26)/t14-/m0/s1.
What are the key properties of [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate?
[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate has a molecular weight of 398.42 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 8736036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).