[(2-phenylacetyl)amino] N,N-dimethylcarbamate

C11H14N2O3 — CID 2805610

IUPAC[(2-phenylacetyl)amino] N,N-dimethylcarbamate
SMILESCN(C)C(=O)ONC(=O)Cc1ccccc1
InChIInChI=1S/C11H14N2O3/c1-13(2)11(15)16-12-10(14)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,14)
InChIKeyDFARMBCFHSILSR-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.96
Rot. Bonds2

About [(2-phenylacetyl)amino] N,N-dimethylcarbamate

[(2-phenylacetyl)amino] N,N-dimethylcarbamate (PubChem CID 2805610) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is [(2-phenylacetyl)amino] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[(2-phenylacetyl)amino] N,N-dimethylcarbamate
PubChem CID2805610
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name[(2-phenylacetyl)amino] N,N-dimethylcarbamate
SMILESCN(C)C(=O)ONC(=O)Cc1ccccc1
InChIInChI=1S/C11H14N2O3/c1-13(2)11(15)16-12-10(14)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,14)
InChIKeyDFARMBCFHSILSR-UHFFFAOYSA-N
XLogP0.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2-phenylacetyl)amino] N,N-dimethylcarbamate?
The IUPAC name of [(2-phenylacetyl)amino] N,N-dimethylcarbamate (CID 2805610) is [(2-phenylacetyl)amino] N,N-dimethylcarbamate.
What is the SMILES notation for [(2-phenylacetyl)amino] N,N-dimethylcarbamate?
The canonical SMILES for [(2-phenylacetyl)amino] N,N-dimethylcarbamate is CN(C)C(=O)ONC(=O)Cc1ccccc1.
What is the InChIKey of [(2-phenylacetyl)amino] N,N-dimethylcarbamate?
The InChIKey is DFARMBCFHSILSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-13(2)11(15)16-12-10(14)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,14).
What are the key properties of [(2-phenylacetyl)amino] N,N-dimethylcarbamate?
[(2-phenylacetyl)amino] N,N-dimethylcarbamate has a molecular weight of 222.24 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-phenylacetyl)amino] N,N-dimethylcarbamate is sourced from PubChem (CID 2805610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).