2-(azetidin-3-ylidene)-N-[3-(ethylamino)-3-oxopropyl]propanamide

C11H19N3O2 — CID 116678900

IUPAC2-(azetidin-3-ylidene)-N-[3-(ethylamino)-3-oxopropyl]propanamide
SMILESCCNC(=O)CCNC(=O)C(C)=C1CNC1
InChIInChI=1S/C11H19N3O2/c1-3-13-10(15)4-5-14-11(16)8(2)9-6-12-7-9/h12H,3-7H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyVCIPIWJDIFQLNY-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.45
Rot. Bonds5

About 2-(azetidin-3-ylidene)-N-[3-(ethylamino)-3-oxopropyl]propanamide

2-(azetidin-3-ylidene)-N-[3-(ethylamino)-3-oxopropyl]propanamide (PubChem CID 116678900) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[3-(ethylamino)-3-oxopropyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[3-(ethylamino)-3-oxopropyl]propanamide
PubChem CID116678900
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-(azetidin-3-ylidene)-N-[3-(ethylamino)-3-oxopropyl]propanamide
SMILESCCNC(=O)CCNC(=O)C(C)=C1CNC1
InChIInChI=1S/C11H19N3O2/c1-3-13-10(15)4-5-14-11(16)8(2)9-6-12-7-9/h12H,3-7H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyVCIPIWJDIFQLNY-UHFFFAOYSA-N
XLogP-0.45
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(azetidin-3-ylidene)-N-[3-(methylamino)-3-oxopropyl]propanamide
CID 116677546
2-(azetidin-3-ylidene)-N-[2-(diethylamino)ethyl]propanamide
CID 116674274
2-(azetidin-3-ylidene)-N-(2-cyanoethyl)propanamide
CID 116674760
2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutyl)propanamide
CID 116678663
2-(azetidin-3-ylidene)-N-(2-ethylbutyl)propanamide
CID 116679121
2-(azetidin-3-ylidene)-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide
CID 116676657
N-[3-(ethylamino)-3-oxopropyl]-2-methylprop-2-enamide
CID 87413297
2-(azetidin-3-ylidene)-N-prop-2-ynylpropanamide
CID 116674617
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(azetidin-3-ylidene)propanamide
CID 106236627
2-(azetidin-3-ylidene)-N-[2-(3-methylbutoxy)ethyl]propanamide
CID 116677558
2-[2-[2-(azetidin-3-ylidene)propanoylamino]ethyl]benzoic acid
CID 116678028
2-(azetidin-3-ylidene)-N-(2-hydroxy-4-methylpentyl)propanamide
CID 107152926

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[3-(ethylamino)-3-oxopropyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[3-(ethylamino)-3-oxopropyl]propanamide (CID 116678900) is 2-(azetidin-3-ylidene)-N-[3-(ethylamino)-3-oxopropyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[3-(ethylamino)-3-oxopropyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[3-(ethylamino)-3-oxopropyl]propanamide is CCNC(=O)CCNC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[3-(ethylamino)-3-oxopropyl]propanamide?
The InChIKey is VCIPIWJDIFQLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-13-10(15)4-5-14-11(16)8(2)9-6-12-7-9/h12H,3-7H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 2-(azetidin-3-ylidene)-N-[3-(ethylamino)-3-oxopropyl]propanamide?
2-(azetidin-3-ylidene)-N-[3-(ethylamino)-3-oxopropyl]propanamide has a molecular weight of 225.29 g/mol, XLogP of -0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[3-(ethylamino)-3-oxopropyl]propanamide is sourced from PubChem (CID 116678900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).