2-(azetidin-3-ylidene)-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide

C11H19N3O3 — CID 116678882

IUPAC2-(azetidin-3-ylidene)-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
SMILESCOCCNC(=O)CNC(=O)C(C)=C1CNC1
InChIInChI=1S/C11H19N3O3/c1-8(9-5-12-6-9)11(16)14-7-10(15)13-3-4-17-2/h12H,3-7H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyFHNGKRPCWMBJOQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP-1.22
Rot. Bonds6

About 2-(azetidin-3-ylidene)-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide

2-(azetidin-3-ylidene)-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide (PubChem CID 116678882) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
PubChem CID116678882
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-(azetidin-3-ylidene)-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
SMILESCOCCNC(=O)CNC(=O)C(C)=C1CNC1
InChIInChI=1S/C11H19N3O3/c1-8(9-5-12-6-9)11(16)14-7-10(15)13-3-4-17-2/h12H,3-7H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyFHNGKRPCWMBJOQ-UHFFFAOYSA-N
XLogP-1.22
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(azetidin-3-ylidene)propanamide
CID 106236627
2-(azetidin-3-ylidene)-N-[3-(methylamino)-3-oxopropyl]propanamide
CID 116677546
2-(azetidin-3-ylidene)-N-[3-(ethylamino)-3-oxopropyl]propanamide
CID 116678900
2-(azetidin-3-ylidene)-N-prop-2-ynylpropanamide
CID 116674617
2-(azetidin-3-ylidene)-N-(3-hydroxybutyl)propanamide
CID 116678145
2-(azetidin-3-ylidene)-N-(2-cyanoethyl)propanamide
CID 116674760
methyl 4-[[2-(azetidin-3-ylidene)propanoylamino]methyl]benzoate
CID 116677224
2-(azetidin-3-ylidene)-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide
CID 106188642
2-(azetidin-3-ylidene)-N-[2-(diethylamino)ethyl]propanamide
CID 116674274
2-(azetidin-3-ylidene)-N-(2-sulfamoylethyl)propanamide
CID 116674896
2-(azetidin-3-ylidene)-N-(3-cyclohexyloxypropyl)propanamide
CID 116677186
2-(azetidin-3-ylidene)-N-(2-ethylbutyl)propanamide
CID 116679121

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide (CID 116678882) is 2-(azetidin-3-ylidene)-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide is COCCNC(=O)CNC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide?
The InChIKey is FHNGKRPCWMBJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-8(9-5-12-6-9)11(16)14-7-10(15)13-3-4-17-2/h12H,3-7H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 2-(azetidin-3-ylidene)-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide?
2-(azetidin-3-ylidene)-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide has a molecular weight of 241.29 g/mol, XLogP of -1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 116678882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).