[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate

C22H24N2O6 — CID 8842308

IUPAC[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
SMILESCC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C22H24N2O6/c1-14(23-20(26)13-29-19-7-5-4-6-8-19)22(28)30-16(3)21(27)24-18-11-9-17(10-12-18)15(2)25/h4-12,14,16H,13H2,1-3H3,(H,23,26)(H,24,27)/t14-,16+/m0/s1
InChIKeyHHOBESOMXBVOJV-GOEBONIOSA-N
MW412.44 g/mol
LogP2.34
Rot. Bonds9

About [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate

[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate (PubChem CID 8842308) has the molecular formula C22H24N2O6 and a molecular weight of 412.44 g/mol. Its IUPAC name is [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate.

Molecular Properties

Compound Name[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
PubChem CID8842308
Molecular FormulaC22H24N2O6
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC Name[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
SMILESCC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C22H24N2O6/c1-14(23-20(26)13-29-19-7-5-4-6-8-19)22(28)30-16(3)21(27)24-18-11-9-17(10-12-18)15(2)25/h4-12,14,16H,13H2,1-3H3,(H,23,26)(H,24,27)/t14-,16+/m0/s1
InChIKeyHHOBESOMXBVOJV-GOEBONIOSA-N
XLogP2.34
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate with MolForge

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Related Compounds

[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842680
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842322
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842761
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842663
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate
CID 7185654
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxybutanoate
CID 7229778
methyl 4-[[2-[(2S)-2-[(2-phenoxyacetyl)amino]propanoyl]oxyacetyl]amino]benzoate
CID 8842240
[(2R)-1-anilino-1-oxopropan-2-yl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate
CID 8939352
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-hydroxy-2-phenylacetate
CID 7821160
N-[4-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 26907063
[2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842869
[1-(4-acetylanilino)-1-oxopropan-2-yl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538854

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate?
The IUPAC name of [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate (CID 8842308) is [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate.
What is the SMILES notation for [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate?
The canonical SMILES for [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate is CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)NC(=O)COc2ccccc2)cc1.
What is the InChIKey of [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate?
The InChIKey is HHOBESOMXBVOJV-GOEBONIOSA-N. The full InChI is InChI=1S/C22H24N2O6/c1-14(23-20(26)13-29-19-7-5-4-6-8-19)22(28)30-16(3)21(27)24-18-11-9-17(10-12-18)15(2)25/h4-12,14,16H,13H2,1-3H3,(H,23,26)(H,24,27)/t14-,16+/m0/s1.
What are the key properties of [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate?
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate has a molecular weight of 412.44 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate is sourced from PubChem (CID 8842308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).