[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate

C21H24N2O4 — CID 8523244

IUPAC[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate
SMILESCCc1ccc(NC(=O)[C@@H](C)OC(=O)CNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C21H24N2O4/c1-3-16-9-11-18(12-10-16)23-21(26)15(2)27-20(25)14-22-19(24)13-17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3,(H,22,24)(H,23,26)/t15-/m1/s1
InChIKeyNZRPAUHZXATDSZ-OAHLLOKOSA-N
MW368.43 g/mol
LogP2.48
Rot. Bonds8

About [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate

[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate (PubChem CID 8523244) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate.

Molecular Properties

Compound Name[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate
PubChem CID8523244
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate
SMILESCCc1ccc(NC(=O)[C@@H](C)OC(=O)CNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C21H24N2O4/c1-3-16-9-11-18(12-10-16)23-21(26)15(2)27-20(25)14-22-19(24)13-17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3,(H,22,24)(H,23,26)/t15-/m1/s1
InChIKeyNZRPAUHZXATDSZ-OAHLLOKOSA-N
XLogP2.48
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate
CID 8736269
(1-anilino-1-oxopropan-2-yl) 3-[(2-phenylacetyl)amino]propanoate
CID 46695851
[2-(4-ethylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8524003
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877432
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 7870179
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7980214
[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate
CID 8736203
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 7750151
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884047
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874804
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
CID 7908958

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate?
The IUPAC name of [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate (CID 8523244) is [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate.
What is the SMILES notation for [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate?
The canonical SMILES for [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate is CCc1ccc(NC(=O)[C@@H](C)OC(=O)CNC(=O)Cc2ccccc2)cc1.
What is the InChIKey of [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate?
The InChIKey is NZRPAUHZXATDSZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-16-9-11-18(12-10-16)23-21(26)15(2)27-20(25)14-22-19(24)13-17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3,(H,22,24)(H,23,26)/t15-/m1/s1.
What are the key properties of [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate?
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate has a molecular weight of 368.43 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate is sourced from PubChem (CID 8523244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).