2-(azetidin-3-ylidene)-N-(3-ethylpentan-3-yl)propanamide

C13H24N2O — CID 116678158

IUPAC2-(azetidin-3-ylidene)-N-(3-ethylpentan-3-yl)propanamide
SMILESCCC(CC)(CC)NC(=O)C(C)=C1CNC1
InChIInChI=1S/C13H24N2O/c1-5-13(6-2,7-3)15-12(16)10(4)11-8-14-9-11/h14H,5-9H2,1-4H3,(H,15,16)
InChIKeyPCUCNBXPFDCZDQ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.99
Rot. Bonds5

About 2-(azetidin-3-ylidene)-N-(3-ethylpentan-3-yl)propanamide

2-(azetidin-3-ylidene)-N-(3-ethylpentan-3-yl)propanamide (PubChem CID 116678158) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(3-ethylpentan-3-yl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(3-ethylpentan-3-yl)propanamide
PubChem CID116678158
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(azetidin-3-ylidene)-N-(3-ethylpentan-3-yl)propanamide
SMILESCCC(CC)(CC)NC(=O)C(C)=C1CNC1
InChIInChI=1S/C13H24N2O/c1-5-13(6-2,7-3)15-12(16)10(4)11-8-14-9-11/h14H,5-9H2,1-4H3,(H,15,16)
InChIKeyPCUCNBXPFDCZDQ-UHFFFAOYSA-N
XLogP1.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methyl-2-propan-2-ylbutyl)propanamide
CID 102905823
2-(azetidin-3-ylidene)-N-(2-cyclopropylpropan-2-yl)propanamide
CID 105775771
2-(azetidin-3-ylidene)-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106047676
3-[2-(Azetidin-3-ylidene)propanoylamino]-3-methylbutanamide
CID 106096495
2-(azetidin-3-ylidene)-N-(3-methylpentan-3-yl)propanamide
CID 106328700
2-(azetidin-3-ylidene)-N-[3-(diethylamino)propyl]propanamide
CID 113550669
2-(azetidin-3-ylidene)-N-ethyl-N-(2-ethylbutyl)propanamide
CID 113550742
2-(azetidin-3-ylidene)-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 113550800
2-(azetidin-3-ylidene)-N-[3-(tert-butylamino)-3-oxopropyl]propanamide
CID 113551304
2-(azetidin-3-ylidene)-N-propylpropanamide
CID 116674216
2-(azetidin-3-ylidene)-N-(2-methylbutan-2-yl)propanamide
CID 116674218
2-(azetidin-3-ylidene)-N-tert-butylpropanamide
CID 116674226

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(3-ethylpentan-3-yl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(3-ethylpentan-3-yl)propanamide (CID 116678158) is 2-(azetidin-3-ylidene)-N-(3-ethylpentan-3-yl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(3-ethylpentan-3-yl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(3-ethylpentan-3-yl)propanamide is CCC(CC)(CC)NC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(3-ethylpentan-3-yl)propanamide?
The InChIKey is PCUCNBXPFDCZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-13(6-2,7-3)15-12(16)10(4)11-8-14-9-11/h14H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 2-(azetidin-3-ylidene)-N-(3-ethylpentan-3-yl)propanamide?
2-(azetidin-3-ylidene)-N-(3-ethylpentan-3-yl)propanamide has a molecular weight of 224.35 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(3-ethylpentan-3-yl)propanamide is sourced from PubChem (CID 116678158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).