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

C12H22N2O — CID 106328700

IUPAC2-(azetidin-3-ylidene)-N-(3-methylpentan-3-yl)propanamide
SMILESCCC(C)(CC)NC(=O)C(C)=C1CNC1
InChIInChI=1S/C12H22N2O/c1-5-12(4,6-2)14-11(15)9(3)10-7-13-8-10/h13H,5-8H2,1-4H3,(H,14,15)
InChIKeyMKIPTZBYYFFETH-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.60
Rot. Bonds4

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

2-(azetidin-3-ylidene)-N-(3-methylpentan-3-yl)propanamide (PubChem CID 106328700) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(3-methylpentan-3-yl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(3-methylpentan-3-yl)propanamide
PubChem CID106328700
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(azetidin-3-ylidene)-N-(3-methylpentan-3-yl)propanamide
SMILESCCC(C)(CC)NC(=O)C(C)=C1CNC1
InChIInChI=1S/C12H22N2O/c1-5-12(4,6-2)14-11(15)9(3)10-7-13-8-10/h13H,5-8H2,1-4H3,(H,14,15)
InChIKeyMKIPTZBYYFFETH-UHFFFAOYSA-N
XLogP1.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.60
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-(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
2-(azetidin-3-ylidene)-N-propan-2-ylpropanamide
CID 116674230

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(3-methylpentan-3-yl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(3-methylpentan-3-yl)propanamide (CID 106328700) is 2-(azetidin-3-ylidene)-N-(3-methylpentan-3-yl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(3-methylpentan-3-yl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(3-methylpentan-3-yl)propanamide is CCC(C)(CC)NC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(3-methylpentan-3-yl)propanamide?
The InChIKey is MKIPTZBYYFFETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-12(4,6-2)14-11(15)9(3)10-7-13-8-10/h13H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 2-(azetidin-3-ylidene)-N-(3-methylpentan-3-yl)propanamide?
2-(azetidin-3-ylidene)-N-(3-methylpentan-3-yl)propanamide has a molecular weight of 210.32 g/mol, XLogP of 1.60, 4 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-methylpentan-3-yl)propanamide is sourced from PubChem (CID 106328700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).