aziridin-2-one;3-(2-phenylethoxy)propanamide

C13H18N2O3 — CID 88919974

IUPACaziridin-2-one;3-(2-phenylethoxy)propanamide
SMILESNC(=O)CCOCCc1ccccc1.O=C1CN1
InChIInChI=1S/C11H15NO2.C2H3NO/c12-11(13)7-9-14-8-6-10-4-2-1-3-5-10;4-2-1-3-2/h1-5H,6-9H2,(H2,12,13);1H2,(H,3,4)
InChIKeyVPZDMBQCHNZVLX-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.24
Rot. Bonds6

About aziridin-2-one;3-(2-phenylethoxy)propanamide

aziridin-2-one;3-(2-phenylethoxy)propanamide (PubChem CID 88919974) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is aziridin-2-one;3-(2-phenylethoxy)propanamide.

Molecular Properties

Compound Nameaziridin-2-one;3-(2-phenylethoxy)propanamide
PubChem CID88919974
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameaziridin-2-one;3-(2-phenylethoxy)propanamide
SMILESNC(=O)CCOCCc1ccccc1.O=C1CN1
InChIInChI=1S/C11H15NO2.C2H3NO/c12-11(13)7-9-14-8-6-10-4-2-1-3-5-10;4-2-1-3-2/h1-5H,6-9H2,(H2,12,13);1H2,(H,3,4)
InChIKeyVPZDMBQCHNZVLX-UHFFFAOYSA-N
XLogP0.24
TPSA91.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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bis[2-[2-(2-phenylethoxy)ethoxy]ethyl] hexanedioate
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2-amino-2-methyl-3-(2-phenylethoxy)propanoic acid
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2-phenylethyl acetate
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CID 19357551
2-(2-methoxyethoxy)ethyl 3-phenylpropanoate
CID 70881793
2-amino-3-(2-phenylethoxy)propanamide
CID 114989411
N-(4-aminophenyl)-3-(2-phenylethoxy)propanamide
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Frequently Asked Questions

What is the IUPAC name of aziridin-2-one;3-(2-phenylethoxy)propanamide?
The IUPAC name of aziridin-2-one;3-(2-phenylethoxy)propanamide (CID 88919974) is aziridin-2-one;3-(2-phenylethoxy)propanamide.
What is the SMILES notation for aziridin-2-one;3-(2-phenylethoxy)propanamide?
The canonical SMILES for aziridin-2-one;3-(2-phenylethoxy)propanamide is NC(=O)CCOCCc1ccccc1.O=C1CN1.
What is the InChIKey of aziridin-2-one;3-(2-phenylethoxy)propanamide?
The InChIKey is VPZDMBQCHNZVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.C2H3NO/c12-11(13)7-9-14-8-6-10-4-2-1-3-5-10;4-2-1-3-2/h1-5H,6-9H2,(H2,12,13);1H2,(H,3,4).
What are the key properties of aziridin-2-one;3-(2-phenylethoxy)propanamide?
aziridin-2-one;3-(2-phenylethoxy)propanamide has a molecular weight of 250.30 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aziridin-2-one;3-(2-phenylethoxy)propanamide is sourced from PubChem (CID 88919974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).