N-(2-amino-2-oxoethoxy)-2-(3-methylphenoxy)propanamide

C12H16N2O4 — CID 112550466

IUPACN-(2-amino-2-oxoethoxy)-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NOCC(N)=O)c1
InChIInChI=1S/C12H16N2O4/c1-8-4-3-5-10(6-8)18-9(2)12(16)14-17-7-11(13)15/h3-6,9H,7H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyVGBIZOXGPLAMBW-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.30
Rot. Bonds6

About N-(2-amino-2-oxoethoxy)-2-(3-methylphenoxy)propanamide

N-(2-amino-2-oxoethoxy)-2-(3-methylphenoxy)propanamide (PubChem CID 112550466) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-2-(3-methylphenoxy)propanamide
PubChem CID112550466
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-(2-amino-2-oxoethoxy)-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NOCC(N)=O)c1
InChIInChI=1S/C12H16N2O4/c1-8-4-3-5-10(6-8)18-9(2)12(16)14-17-7-11(13)15/h3-6,9H,7H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyVGBIZOXGPLAMBW-UHFFFAOYSA-N
XLogP0.30
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.30
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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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-2-(3-methylphenoxy)propanamide (CID 112550466) is N-(2-amino-2-oxoethoxy)-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-2-(3-methylphenoxy)propanamide is Cc1cccc(OC(C)C(=O)NOCC(N)=O)c1.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-2-(3-methylphenoxy)propanamide?
The InChIKey is VGBIZOXGPLAMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8-4-3-5-10(6-8)18-9(2)12(16)14-17-7-11(13)15/h3-6,9H,7H2,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of N-(2-amino-2-oxoethoxy)-2-(3-methylphenoxy)propanamide?
N-(2-amino-2-oxoethoxy)-2-(3-methylphenoxy)propanamide has a molecular weight of 252.27 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 112550466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).