[2-[[methoxy(phenyl)methyl]amino]-2-oxo-1-phenylethyl] acetate

C18H19NO4 — CID 14186661

IUPAC[2-[[methoxy(phenyl)methyl]amino]-2-oxo-1-phenylethyl] acetate
SMILESCOC(NC(=O)C(OC(C)=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO4/c1-13(20)23-16(14-9-5-3-6-10-14)17(21)19-18(22-2)15-11-7-4-8-12-15/h3-12,16,18H,1-2H3,(H,19,21)
InChIKeyZSQZIUHCJSWLIU-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.75
Rot. Bonds6

About [2-[[methoxy(phenyl)methyl]amino]-2-oxo-1-phenylethyl] acetate

[2-[[methoxy(phenyl)methyl]amino]-2-oxo-1-phenylethyl] acetate (PubChem CID 14186661) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is [2-[[methoxy(phenyl)methyl]amino]-2-oxo-1-phenylethyl] acetate.

Molecular Properties

Compound Name[2-[[methoxy(phenyl)methyl]amino]-2-oxo-1-phenylethyl] acetate
PubChem CID14186661
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name[2-[[methoxy(phenyl)methyl]amino]-2-oxo-1-phenylethyl] acetate
SMILESCOC(NC(=O)C(OC(C)=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO4/c1-13(20)23-16(14-9-5-3-6-10-14)17(21)19-18(22-2)15-11-7-4-8-12-15/h3-12,16,18H,1-2H3,(H,19,21)
InChIKeyZSQZIUHCJSWLIU-UHFFFAOYSA-N
XLogP2.75
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2-(1-hydroxypropan-2-ylamino)-2-oxo-1-phenylethyl] acetate
CID 70487174
[2-oxo-1-phenyl-2-(propylamino)ethyl] acetate
CID 24834441
methyl 2-[(S)-acetyloxy(phenyl)methyl]prop-2-enoate
CID 51550449
acetyl (2R)-2-acetyloxy-2-phenylacetate
CID 57080873
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 78986376
(2S)-2-methoxy-2-phenyl-N-[(1R)-1-phenylethyl]acetamide
CID 10378386
(2,3,3-trifluoro-1-phenylprop-2-enyl) acetate
CID 11984228
[(1R)-2-(2,5-dimethoxyanilino)-2-oxo-1-phenylethyl] acetate
CID 41098079
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
[2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] acetate
CID 3132918
[(1S)-2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate
CID 763099
(4-methoxyphenyl) (2S)-2-acetyloxy-2-phenylacetate
CID 102577965

Frequently Asked Questions

What is the IUPAC name of [2-[[methoxy(phenyl)methyl]amino]-2-oxo-1-phenylethyl] acetate?
The IUPAC name of [2-[[methoxy(phenyl)methyl]amino]-2-oxo-1-phenylethyl] acetate (CID 14186661) is [2-[[methoxy(phenyl)methyl]amino]-2-oxo-1-phenylethyl] acetate.
What is the SMILES notation for [2-[[methoxy(phenyl)methyl]amino]-2-oxo-1-phenylethyl] acetate?
The canonical SMILES for [2-[[methoxy(phenyl)methyl]amino]-2-oxo-1-phenylethyl] acetate is COC(NC(=O)C(OC(C)=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[[methoxy(phenyl)methyl]amino]-2-oxo-1-phenylethyl] acetate?
The InChIKey is ZSQZIUHCJSWLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-13(20)23-16(14-9-5-3-6-10-14)17(21)19-18(22-2)15-11-7-4-8-12-15/h3-12,16,18H,1-2H3,(H,19,21).
What are the key properties of [2-[[methoxy(phenyl)methyl]amino]-2-oxo-1-phenylethyl] acetate?
[2-[[methoxy(phenyl)methyl]amino]-2-oxo-1-phenylethyl] acetate has a molecular weight of 313.35 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[methoxy(phenyl)methyl]amino]-2-oxo-1-phenylethyl] acetate is sourced from PubChem (CID 14186661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).