[tert-butyl-(2-phenylacetyl)amino] acetate

C14H19NO3 — CID 11776828

IUPAC[tert-butyl-(2-phenylacetyl)amino] acetate
SMILESCC(=O)ON(C(=O)Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C14H19NO3/c1-11(16)18-15(14(2,3)4)13(17)10-12-8-6-5-7-9-12/h5-9H,10H2,1-4H3
InChIKeySKDPTJORBCUMBT-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.33
Rot. Bonds2

About [tert-butyl-(2-phenylacetyl)amino] acetate

[tert-butyl-(2-phenylacetyl)amino] acetate (PubChem CID 11776828) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is [tert-butyl-(2-phenylacetyl)amino] acetate.

Molecular Properties

Compound Name[tert-butyl-(2-phenylacetyl)amino] acetate
PubChem CID11776828
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name[tert-butyl-(2-phenylacetyl)amino] acetate
SMILESCC(=O)ON(C(=O)Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C14H19NO3/c1-11(16)18-15(14(2,3)4)13(17)10-12-8-6-5-7-9-12/h5-9H,10H2,1-4H3
InChIKeySKDPTJORBCUMBT-UHFFFAOYSA-N
XLogP2.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-[methyl-(2-phenylacetyl)amino]propanoic acid
CID 62818448
N'-acetyl-N,N'-dimethyl-2-phenylacetohydrazide
CID 15121331
benzene;1-phenylpropan-2-one
CID 21430852
[acetyl(benzyl)amino] acetate
CID 131850460
3-ethoxy-3-methyl-1-phenylpentan-2-one
CID 116746963
N,2-diphenyl-N-(2-phenylacetyl)acetamide
CID 23298384
N-[2-[acetyl(tert-butyl)amino]ethyl]-2-phenylacetamide
CID 113056581
2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylacetyl)amino]acetic acid
CID 11109126
N,N-bis(methoxyamino)-2-phenylacetamide
CID 174382025
2-methyl-2-(3-phenylprop-1-en-2-yl)propanedioic acid
CID 11948255
acetyloxymethyl 2-phenylacetate
CID 121486345
N-benzyl-N-tert-butyl-2-phenoxyacetamide
CID 2927672

Frequently Asked Questions

What is the IUPAC name of [tert-butyl-(2-phenylacetyl)amino] acetate?
The IUPAC name of [tert-butyl-(2-phenylacetyl)amino] acetate (CID 11776828) is [tert-butyl-(2-phenylacetyl)amino] acetate.
What is the SMILES notation for [tert-butyl-(2-phenylacetyl)amino] acetate?
The canonical SMILES for [tert-butyl-(2-phenylacetyl)amino] acetate is CC(=O)ON(C(=O)Cc1ccccc1)C(C)(C)C.
What is the InChIKey of [tert-butyl-(2-phenylacetyl)amino] acetate?
The InChIKey is SKDPTJORBCUMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11(16)18-15(14(2,3)4)13(17)10-12-8-6-5-7-9-12/h5-9H,10H2,1-4H3.
What are the key properties of [tert-butyl-(2-phenylacetyl)amino] acetate?
[tert-butyl-(2-phenylacetyl)amino] acetate has a molecular weight of 249.31 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl-(2-phenylacetyl)amino] acetate is sourced from PubChem (CID 11776828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).