2-(azetidin-3-ylidene)-N,N-dibutylpropanamide

C14H26N2O — CID 116674717

IUPAC2-(azetidin-3-ylidene)-N,N-dibutylpropanamide
SMILESCCCCN(CCCC)C(=O)C(C)=C1CNC1
InChIInChI=1S/C14H26N2O/c1-4-6-8-16(9-7-5-2)14(17)12(3)13-10-15-11-13/h15H,4-11H2,1-3H3
InChIKeyOCXLRYZAKLPHHE-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.33
Rot. Bonds7

About 2-(azetidin-3-ylidene)-N,N-dibutylpropanamide

2-(azetidin-3-ylidene)-N,N-dibutylpropanamide (PubChem CID 116674717) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N,N-dibutylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N,N-dibutylpropanamide
PubChem CID116674717
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-(azetidin-3-ylidene)-N,N-dibutylpropanamide
SMILESCCCCN(CCCC)C(=O)C(C)=C1CNC1
InChIInChI=1S/C14H26N2O/c1-4-6-8-16(9-7-5-2)14(17)12(3)13-10-15-11-13/h15H,4-11H2,1-3H3
InChIKeyOCXLRYZAKLPHHE-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
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-(2-hydroxyethyl)-N-propylpropanamide
CID 116676397
2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-ethylpropanamide
CID 116677977
2-(azetidin-3-ylidene)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
CID 116677915
2-(azetidin-3-ylidene)-N-(2-cyanopropyl)-N-ethylpropanamide
CID 116676646
2-(azetidin-3-ylidene)-N-methyl-N-[2-(methylamino)ethyl]propanamide
CID 116678011
ethyl 2-[2-(azetidin-3-ylidene)propanoyl-(2-methylpropyl)amino]acetate
CID 116676453
N-(2-amino-2-oxoethyl)-2-(azetidin-3-ylidene)-N-methylpropanamide
CID 116674814
N-butyl-2-methyl-N-pentylprop-2-enamide
CID 87098831
N,N,N',N'-tetrahexyloxamide
CID 6424911
2-(azetidin-3-ylidene)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 116678469
N-butyl-2-methyl-N-octylprop-2-enamide
CID 20743986
2-(azetidin-3-ylidene)-N-[2-(diethylamino)ethyl]propanamide
CID 116674274

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N,N-dibutylpropanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N,N-dibutylpropanamide (CID 116674717) is 2-(azetidin-3-ylidene)-N,N-dibutylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N,N-dibutylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N,N-dibutylpropanamide is CCCCN(CCCC)C(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N,N-dibutylpropanamide?
The InChIKey is OCXLRYZAKLPHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-6-8-16(9-7-5-2)14(17)12(3)13-10-15-11-13/h15H,4-11H2,1-3H3.
What are the key properties of 2-(azetidin-3-ylidene)-N,N-dibutylpropanamide?
2-(azetidin-3-ylidene)-N,N-dibutylpropanamide has a molecular weight of 238.37 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N,N-dibutylpropanamide is sourced from PubChem (CID 116674717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).