benzamido acetate;ethane

C11H15NO3 — CID 91379738

IUPACbenzamido acetate;ethane
SMILESCC.CC(=O)ONC(=O)c1ccccc1
InChIInChI=1S/C9H9NO3.C2H6/c1-7(11)13-10-9(12)8-5-3-2-4-6-8;1-2/h2-6H,1H3,(H,10,12);1-2H3
InChIKeyJRAJAGSFWRMDFN-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.92
Rot. Bonds1

About benzamido acetate;ethane

benzamido acetate;ethane (PubChem CID 91379738) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is benzamido acetate;ethane.

Molecular Properties

Compound Namebenzamido acetate;ethane
PubChem CID91379738
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Namebenzamido acetate;ethane
SMILESCC.CC(=O)ONC(=O)c1ccccc1
InChIInChI=1S/C9H9NO3.C2H6/c1-7(11)13-10-9(12)8-5-3-2-4-6-8;1-2/h2-6H,1H3,(H,10,12);1-2H3
InChIKeyJRAJAGSFWRMDFN-UHFFFAOYSA-N
XLogP1.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.92
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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Related Compounds

benzamido 2-chloroacetate
CID 172559577
benzamido 2-amino-3,3-dimethylbutanoate
CID 57023501
benzamido 2-methylbenzoate
CID 5260358
benzamido 2-methyl-2-phenylpropanoate
CID 174594755
[(4-fluorosulfonylbenzoyl)amino] acetate
CID 150350540
N-(trideuteriomethoxy)benzamide
CID 156666829
benzamido 3-benzyliminobutanoate
CID 7457656
[(3-acetamido-3-phenylprop-2-enoyl)amino] acetate
CID 57239356
(4-benzamidophenyl) acetate
CID 34734144
[[4-(phenylcarbamoyloxycarbamoyl)benzoyl]amino] N-phenylcarbamate
CID 576626
N-methylbenzamide
CID 11954
benzamido thiophene-2-carboxylate
CID 2804175

Frequently Asked Questions

What is the IUPAC name of benzamido acetate;ethane?
The IUPAC name of benzamido acetate;ethane (CID 91379738) is benzamido acetate;ethane.
What is the SMILES notation for benzamido acetate;ethane?
The canonical SMILES for benzamido acetate;ethane is CC.CC(=O)ONC(=O)c1ccccc1.
What is the InChIKey of benzamido acetate;ethane?
The InChIKey is JRAJAGSFWRMDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3.C2H6/c1-7(11)13-10-9(12)8-5-3-2-4-6-8;1-2/h2-6H,1H3,(H,10,12);1-2H3.
What are the key properties of benzamido acetate;ethane?
benzamido acetate;ethane has a molecular weight of 209.24 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzamido acetate;ethane is sourced from PubChem (CID 91379738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).