2-(azetidin-3-ylidene)-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide

C11H19N3O2 — CID 116676657

IUPAC2-(azetidin-3-ylidene)-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide
SMILESCCNC(=O)CN(C)C(=O)C(C)=C1CNC1
InChIInChI=1S/C11H19N3O2/c1-4-13-10(15)7-14(3)11(16)8(2)9-5-12-6-9/h12H,4-7H2,1-3H3,(H,13,15)
InChIKeyVHJUOJBRUQVISM-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.50
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide

2-(azetidin-3-ylidene)-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide (PubChem CID 116676657) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide
PubChem CID116676657
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-(azetidin-3-ylidene)-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide
SMILESCCNC(=O)CN(C)C(=O)C(C)=C1CNC1
InChIInChI=1S/C11H19N3O2/c1-4-13-10(15)7-14(3)11(16)8(2)9-5-12-6-9/h12H,4-7H2,1-3H3,(H,13,15)
InChIKeyVHJUOJBRUQVISM-UHFFFAOYSA-N
XLogP-0.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
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-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide
CID 116678898
N-(2-amino-2-oxoethyl)-2-(azetidin-3-ylidene)-N-methylpropanamide
CID 116674814
2-(azetidin-3-ylidene)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
CID 116677915
2-(azetidin-3-ylidene)-N-methyl-N-[2-(methylamino)ethyl]propanamide
CID 116678011
2-(azetidin-3-ylidene)-N-[3-(ethylamino)-3-oxopropyl]propanamide
CID 116678900
2-[[2-[acetyl(methyl)amino]acetyl]amino]-N-ethylacetamide
CID 143168643
2-(azetidin-3-ylidene)-N,N-dibutylpropanamide
CID 116674717
N-[2-(ethylamino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 61150518
2-[diethylcarbamoyl(methyl)amino]-N-ethylacetamide
CID 115618628
3-[[2-(ethylamino)-2-oxoethyl]-methylamino]-3-oxopropanoic acid
CID 62230429
2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-propylpropanamide
CID 116676397
2-[2-(azetidin-3-ylidene)propanoyl-propan-2-ylamino]acetic acid
CID 116676994

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide (CID 116676657) is 2-(azetidin-3-ylidene)-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide is CCNC(=O)CN(C)C(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide?
The InChIKey is VHJUOJBRUQVISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-13-10(15)7-14(3)11(16)8(2)9-5-12-6-9/h12H,4-7H2,1-3H3,(H,13,15).
What are the key properties of 2-(azetidin-3-ylidene)-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide?
2-(azetidin-3-ylidene)-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide has a molecular weight of 225.29 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide is sourced from PubChem (CID 116676657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).