2-(azetidin-3-ylidene)-N-[(1R)-1-cyclohexylethyl]propanamide

C14H24N2O — CID 104892372

IUPAC2-(azetidin-3-ylidene)-N-[(1R)-1-cyclohexylethyl]propanamide
SMILESCC(C(=O)N[C@H](C)C1CCCCC1)=C1CNC1
InChIInChI=1S/C14H24N2O/c1-10(13-8-15-9-13)14(17)16-11(2)12-6-4-3-5-7-12/h11-12,15H,3-9H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyVIPBQXVGEOLAAQ-LLVKDONJSA-N
MW236.36 g/mol
LogP1.99
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-[(1R)-1-cyclohexylethyl]propanamide

2-(azetidin-3-ylidene)-N-[(1R)-1-cyclohexylethyl]propanamide (PubChem CID 104892372) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[(1R)-1-cyclohexylethyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[(1R)-1-cyclohexylethyl]propanamide
PubChem CID104892372
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-(azetidin-3-ylidene)-N-[(1R)-1-cyclohexylethyl]propanamide
SMILESCC(C(=O)N[C@H](C)C1CCCCC1)=C1CNC1
InChIInChI=1S/C14H24N2O/c1-10(13-8-15-9-13)14(17)16-11(2)12-6-4-3-5-7-12/h11-12,15H,3-9H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyVIPBQXVGEOLAAQ-LLVKDONJSA-N
XLogP1.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
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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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[(1R)-1-cyclohexylethyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[(1R)-1-cyclohexylethyl]propanamide (CID 104892372) is 2-(azetidin-3-ylidene)-N-[(1R)-1-cyclohexylethyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[(1R)-1-cyclohexylethyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[(1R)-1-cyclohexylethyl]propanamide is CC(C(=O)N[C@H](C)C1CCCCC1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[(1R)-1-cyclohexylethyl]propanamide?
The InChIKey is VIPBQXVGEOLAAQ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(13-8-15-9-13)14(17)16-11(2)12-6-4-3-5-7-12/h11-12,15H,3-9H2,1-2H3,(H,16,17)/t11-/m1/s1.
What are the key properties of 2-(azetidin-3-ylidene)-N-[(1R)-1-cyclohexylethyl]propanamide?
2-(azetidin-3-ylidene)-N-[(1R)-1-cyclohexylethyl]propanamide has a molecular weight of 236.36 g/mol, XLogP of 1.99, 3 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-[(1R)-1-cyclohexylethyl]propanamide is sourced from PubChem (CID 104892372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).