azane;(benzylamino) 2-phenylacetate

C15H18N2O2 — CID 174695749

IUPACazane;(benzylamino) 2-phenylacetate
SMILESN.O=C(Cc1ccccc1)ONCc1ccccc1
InChIInChI=1S/C15H15NO2.H3N/c17-15(11-13-7-3-1-4-8-13)18-16-12-14-9-5-2-6-10-14;/h1-10,16H,11-12H2;1H3
InChIKeyZSADQKPMPQOHFI-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.64
Rot. Bonds5

About azane;(benzylamino) 2-phenylacetate

azane;(benzylamino) 2-phenylacetate (PubChem CID 174695749) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is azane;(benzylamino) 2-phenylacetate.

Molecular Properties

Compound Nameazane;(benzylamino) 2-phenylacetate
PubChem CID174695749
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Nameazane;(benzylamino) 2-phenylacetate
SMILESN.O=C(Cc1ccccc1)ONCc1ccccc1
InChIInChI=1S/C15H15NO2.H3N/c17-15(11-13-7-3-1-4-8-13)18-16-12-14-9-5-2-6-10-14;/h1-10,16H,11-12H2;1H3
InChIKeyZSADQKPMPQOHFI-UHFFFAOYSA-N
XLogP2.64
TPSA73.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis(benzylamino) hexanedioate
CID 90108260
[[2-(2-phenylethoxy)phenyl]methylamino] 2-phenylacetate
CID 87890217
CID 172801156
CID 172801156
(2-phenylacetyl)oxy 2-phenylethaneperoxoate
CID 87450697
CID 174393592
CID 174393592
carbon dioxide;methyl 2-phenylacetate
CID 159198536
(2S)-2-(benzylamino)oxycarbonyl-3-methylbutanoic acid
CID 54362157
phenyl 2-phenylacetate;zinc
CID 70522084
ethyl 2-phenylacetate
CID 7590
(2-phenylacetyl) propanoate
CID 91029268
methyl 2-phenylacetate;pyridine
CID 22282999
barium(2+);hydride;phenyl 2-phenylacetate
CID 174636717

Frequently Asked Questions

What is the IUPAC name of azane;(benzylamino) 2-phenylacetate?
The IUPAC name of azane;(benzylamino) 2-phenylacetate (CID 174695749) is azane;(benzylamino) 2-phenylacetate.
What is the SMILES notation for azane;(benzylamino) 2-phenylacetate?
The canonical SMILES for azane;(benzylamino) 2-phenylacetate is N.O=C(Cc1ccccc1)ONCc1ccccc1.
What is the InChIKey of azane;(benzylamino) 2-phenylacetate?
The InChIKey is ZSADQKPMPQOHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2.H3N/c17-15(11-13-7-3-1-4-8-13)18-16-12-14-9-5-2-6-10-14;/h1-10,16H,11-12H2;1H3.
What are the key properties of azane;(benzylamino) 2-phenylacetate?
azane;(benzylamino) 2-phenylacetate has a molecular weight of 258.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(benzylamino) 2-phenylacetate is sourced from PubChem (CID 174695749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).