2-(azetidin-3-ylidene)-N-(2,2-dimethylbutyl)propanamide

C12H22N2O — CID 103461443

IUPAC2-(azetidin-3-ylidene)-N-(2,2-dimethylbutyl)propanamide
SMILESCCC(C)(C)CNC(=O)C(C)=C1CNC1
InChIInChI=1S/C12H22N2O/c1-5-12(3,4)8-14-11(15)9(2)10-6-13-7-10/h13H,5-8H2,1-4H3,(H,14,15)
InChIKeyGNUUYAIGIBMGGR-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.46
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-(2,2-dimethylbutyl)propanamide

2-(azetidin-3-ylidene)-N-(2,2-dimethylbutyl)propanamide (PubChem CID 103461443) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2,2-dimethylbutyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2,2-dimethylbutyl)propanamide
PubChem CID103461443
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(azetidin-3-ylidene)-N-(2,2-dimethylbutyl)propanamide
SMILESCCC(C)(C)CNC(=O)C(C)=C1CNC1
InChIInChI=1S/C12H22N2O/c1-5-12(3,4)8-14-11(15)9(2)10-6-13-7-10/h13H,5-8H2,1-4H3,(H,14,15)
InChIKeyGNUUYAIGIBMGGR-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
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-butyl-N-(2,2,2-trifluoroethyl)propanamide
CID 113550851
4-(2,3-Dimethylbut-2-enoylamino)-2,2-dimethylbutanamide
CID 123824598
4-(2,3-dimethylbut-2-enoylamino)-N,2,2-trimethylbutanamide
CID 123847426
2-(azetidin-3-ylidene)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 102905823
2-(azetidin-3-ylidene)-N-[3-(diethylamino)propyl]-N-ethylpropanamide
CID 102993089
2-(azetidin-3-ylidene)-N-(2,2,3-trimethylbutyl)propanamide
CID 105696001
2-(azetidin-3-ylidene)-N-[(1-methylcyclopropyl)methyl]propanamide
CID 105696220
2-(azetidin-3-ylidene)-N-[(1-ethylcyclopropyl)methyl]propanamide
CID 105696355
2-(azetidin-3-ylidene)-N-[(1-propylcyclopropyl)methyl]propanamide
CID 105696480
2-(azetidin-3-ylidene)-N-[(1-methylcyclobutyl)methyl]propanamide
CID 105752406
2-(azetidin-3-ylidene)-N-[(1-ethylcyclobutyl)methyl]propanamide
CID 105752642
2-(azetidin-3-ylidene)-N-[(2,2-dimethylcyclopropyl)methyl]propanamide
CID 105752852

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(2,2-dimethylbutyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2,2-dimethylbutyl)propanamide (CID 103461443) is 2-(azetidin-3-ylidene)-N-(2,2-dimethylbutyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2,2-dimethylbutyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2,2-dimethylbutyl)propanamide is CCC(C)(C)CNC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2,2-dimethylbutyl)propanamide?
The InChIKey is GNUUYAIGIBMGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-12(3,4)8-14-11(15)9(2)10-6-13-7-10/h13H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 2-(azetidin-3-ylidene)-N-(2,2-dimethylbutyl)propanamide?
2-(azetidin-3-ylidene)-N-(2,2-dimethylbutyl)propanamide has a molecular weight of 210.32 g/mol, XLogP of 1.46, 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-(2,2-dimethylbutyl)propanamide is sourced from PubChem (CID 103461443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).