2-(azetidin-3-ylidene)-N-(2-hydroxycyclohexyl)-N-methylpropanamide

C13H22N2O2 — CID 102632081

IUPAC2-(azetidin-3-ylidene)-N-(2-hydroxycyclohexyl)-N-methylpropanamide
SMILESCC(C(=O)N(C)C1CCCCC1O)=C1CNC1
InChIInChI=1S/C13H22N2O2/c1-9(10-7-14-8-10)13(17)15(2)11-5-3-4-6-12(11)16/h11-12,14,16H,3-8H2,1-2H3
InChIKeyFZTLPFLSCWMPMA-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.67
Rot. Bonds2

About 2-(azetidin-3-ylidene)-N-(2-hydroxycyclohexyl)-N-methylpropanamide

2-(azetidin-3-ylidene)-N-(2-hydroxycyclohexyl)-N-methylpropanamide (PubChem CID 102632081) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2-hydroxycyclohexyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2-hydroxycyclohexyl)-N-methylpropanamide
PubChem CID102632081
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-(azetidin-3-ylidene)-N-(2-hydroxycyclohexyl)-N-methylpropanamide
SMILESCC(C(=O)N(C)C1CCCCC1O)=C1CNC1
InChIInChI=1S/C13H22N2O2/c1-9(10-7-14-8-10)13(17)15(2)11-5-3-4-6-12(11)16/h11-12,14,16H,3-8H2,1-2H3
InChIKeyFZTLPFLSCWMPMA-UHFFFAOYSA-N
XLogP0.67
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-(2-hydroxycyclohexyl)-3-methylbut-2-enamide
CID 109619977
N-(2-hydroxycyclohexyl)-2-methylprop-2-enamide
CID 54236054
N-(2-hydroxycyclohexyl)-3-methylbut-2-enamide
CID 62366634
1-(2-Hydroxycyclohexyl)-3,4-dimethylpyrrole-2,5-dione
CID 63267156
N-(2-hydroxycyclohexyl)-N-methylazetidine-3-carboxamide
CID 102632036
N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylbut-2-enamide
CID 104927426
N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbut-2-enamide
CID 104956716
2-(azetidin-3-ylidene)-N-(4-hydroxycyclohexyl)propanamide
CID 104966712
2-(azetidin-3-ylidene)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 107221521
2-(azetidin-3-ylidene)-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide
CID 107221925
2-(azetidin-3-ylidene)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 107222858
2-(Azetidin-3-ylidene)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 116674563

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(2-hydroxycyclohexyl)-N-methylpropanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2-hydroxycyclohexyl)-N-methylpropanamide (CID 102632081) is 2-(azetidin-3-ylidene)-N-(2-hydroxycyclohexyl)-N-methylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2-hydroxycyclohexyl)-N-methylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2-hydroxycyclohexyl)-N-methylpropanamide is CC(C(=O)N(C)C1CCCCC1O)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2-hydroxycyclohexyl)-N-methylpropanamide?
The InChIKey is FZTLPFLSCWMPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(10-7-14-8-10)13(17)15(2)11-5-3-4-6-12(11)16/h11-12,14,16H,3-8H2,1-2H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-(2-hydroxycyclohexyl)-N-methylpropanamide?
2-(azetidin-3-ylidene)-N-(2-hydroxycyclohexyl)-N-methylpropanamide has a molecular weight of 238.33 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(2-hydroxycyclohexyl)-N-methylpropanamide is sourced from PubChem (CID 102632081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).