[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

C25H25NO4 — CID 8011640

IUPAC[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)O[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H25NO4/c1-18(30-23(27)17-19-13-15-22(29-2)16-14-19)25(28)26-24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,18,24H,17H2,1-2H3,(H,26,28)/t18-/m0/s1
InChIKeyIGXJZHOEYAPYJN-SFHVURJKSA-N
MW403.48 g/mol
LogP4.08
Rot. Bonds8

About [(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate (PubChem CID 8011640) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is [(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
PubChem CID8011640
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)O[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H25NO4/c1-18(30-23(27)17-19-13-15-22(29-2)16-14-19)25(28)26-24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,18,24H,17H2,1-2H3,(H,26,28)/t18-/m0/s1
InChIKeyIGXJZHOEYAPYJN-SFHVURJKSA-N
XLogP4.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-oxo-1-(2-phenylethylamino)propan-2-yl] 2-(4-methoxyphenyl)acetate
CID 46619885
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913
2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide
CID 2964251
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 9060989
1-(4-methoxyphenyl)propan-2-yl 2-phenylacetate
CID 86053966
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 7705394
2-(4-methoxyphenyl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 974465
2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 2964250
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate
CID 8632417
[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 42900696
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methylphenyl)acetate
CID 46645502
[1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate
CID 16523065

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate (CID 8011640) is [(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)O[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate?
The InChIKey is IGXJZHOEYAPYJN-SFHVURJKSA-N. The full InChI is InChI=1S/C25H25NO4/c1-18(30-23(27)17-19-13-15-22(29-2)16-14-19)25(28)26-24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,18,24H,17H2,1-2H3,(H,26,28)/t18-/m0/s1.
What are the key properties of [(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate?
[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate has a molecular weight of 403.48 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 8011640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).