2-(azetidin-3-ylidene)-N-[(4-hydroxycyclohexyl)methyl]propanamide

C13H22N2O2 — CID 106135556

IUPAC2-(azetidin-3-ylidene)-N-[(4-hydroxycyclohexyl)methyl]propanamide
SMILESCC(C(=O)NCC1CCC(O)CC1)=C1CNC1
InChIInChI=1S/C13H22N2O2/c1-9(11-7-14-8-11)13(17)15-6-10-2-4-12(16)5-3-10/h10,12,14,16H,2-8H2,1H3,(H,15,17)
InChIKeyDOCXLXTZJQWIQV-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.57
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-[(4-hydroxycyclohexyl)methyl]propanamide

2-(azetidin-3-ylidene)-N-[(4-hydroxycyclohexyl)methyl]propanamide (PubChem CID 106135556) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[(4-hydroxycyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[(4-hydroxycyclohexyl)methyl]propanamide
PubChem CID106135556
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-(azetidin-3-ylidene)-N-[(4-hydroxycyclohexyl)methyl]propanamide
SMILESCC(C(=O)NCC1CCC(O)CC1)=C1CNC1
InChIInChI=1S/C13H22N2O2/c1-9(11-7-14-8-11)13(17)15-6-10-2-4-12(16)5-3-10/h10,12,14,16H,2-8H2,1H3,(H,15,17)
InChIKeyDOCXLXTZJQWIQV-UHFFFAOYSA-N
XLogP0.57
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(4-hydroxycyclohexyl)methyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[(4-hydroxycyclohexyl)methyl]propanamide (CID 106135556) is 2-(azetidin-3-ylidene)-N-[(4-hydroxycyclohexyl)methyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[(4-hydroxycyclohexyl)methyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[(4-hydroxycyclohexyl)methyl]propanamide is CC(C(=O)NCC1CCC(O)CC1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[(4-hydroxycyclohexyl)methyl]propanamide?
The InChIKey is DOCXLXTZJQWIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(11-7-14-8-11)13(17)15-6-10-2-4-12(16)5-3-10/h10,12,14,16H,2-8H2,1H3,(H,15,17).
What are the key properties of 2-(azetidin-3-ylidene)-N-[(4-hydroxycyclohexyl)methyl]propanamide?
2-(azetidin-3-ylidene)-N-[(4-hydroxycyclohexyl)methyl]propanamide has a molecular weight of 238.33 g/mol, XLogP of 0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[(4-hydroxycyclohexyl)methyl]propanamide is sourced from PubChem (CID 106135556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).