[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)benzoate

C25H26N2O4 — CID 7602871

IUPAC[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)benzoate
SMILESC[C@H](OC(=O)c1ccccc1NCCO)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N2O4/c1-18(31-25(30)21-14-8-9-15-22(21)26-16-17-28)24(29)27-23(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,18,23,26,28H,16-17H2,1H3,(H,27,29)/t18-/m0/s1
InChIKeyNBJDXKUACJMLGX-SFHVURJKSA-N
MW418.49 g/mol
LogP3.54
Rot. Bonds9

About [(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)benzoate

[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)benzoate (PubChem CID 7602871) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is [(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)benzoate.

Molecular Properties

Compound Name[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)benzoate
PubChem CID7602871
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)benzoate
SMILESC[C@H](OC(=O)c1ccccc1NCCO)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N2O4/c1-18(31-25(30)21-14-8-9-15-22(21)26-16-17-28)24(29)27-23(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,18,23,26,28H,16-17H2,1H3,(H,27,29)/t18-/m0/s1
InChIKeyNBJDXKUACJMLGX-SFHVURJKSA-N
XLogP3.54
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)benzoate
CID 7602760
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)benzoate
CID 46617983
[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-(2-hydroxyethylamino)benzoate
CID 40955639
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-hydroxyethylamino)benzoate
CID 7603264
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(2-hydroxyethylamino)benzoate
CID 7602890
[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-[(R)-methylsulfinyl]benzoate
CID 11927150
[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)benzoate
CID 7602942
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-(2-hydroxyethylamino)benzoate
CID 55308815
[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-chloropyridine-3-carboxylate
CID 7867629
[(2S)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-(2-hydroxyethylamino)benzoate
CID 7602848
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)benzoate
CID 7602707
[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate
CID 7554365

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)benzoate?
The IUPAC name of [(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)benzoate (CID 7602871) is [(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)benzoate.
What is the SMILES notation for [(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)benzoate?
The canonical SMILES for [(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)benzoate is C[C@H](OC(=O)c1ccccc1NCCO)C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)benzoate?
The InChIKey is NBJDXKUACJMLGX-SFHVURJKSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-18(31-25(30)21-14-8-9-15-22(21)26-16-17-28)24(29)27-23(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,18,23,26,28H,16-17H2,1H3,(H,27,29)/t18-/m0/s1.
What are the key properties of [(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)benzoate?
[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)benzoate has a molecular weight of 418.49 g/mol, XLogP of 3.54, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)benzoate is sourced from PubChem (CID 7602871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).