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

C13H22N2O2 — CID 114125215

IUPAC2-(azetidin-3-ylidene)-N-[(4-methyloxan-4-yl)methyl]propanamide
SMILESCC(C(=O)NCC1(C)CCOCC1)=C1CNC1
InChIInChI=1S/C13H22N2O2/c1-10(11-7-14-8-11)12(16)15-9-13(2)3-5-17-6-4-13/h14H,3-9H2,1-2H3,(H,15,16)
InChIKeyHRTCQHQZEPCHSJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.84
Rot. Bonds3

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

2-(azetidin-3-ylidene)-N-[(4-methyloxan-4-yl)methyl]propanamide (PubChem CID 114125215) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[(4-methyloxan-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[(4-methyloxan-4-yl)methyl]propanamide
PubChem CID114125215
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-(azetidin-3-ylidene)-N-[(4-methyloxan-4-yl)methyl]propanamide
SMILESCC(C(=O)NCC1(C)CCOCC1)=C1CNC1
InChIInChI=1S/C13H22N2O2/c1-10(11-7-14-8-11)12(16)15-9-13(2)3-5-17-6-4-13/h14H,3-9H2,1-2H3,(H,15,16)
InChIKeyHRTCQHQZEPCHSJ-UHFFFAOYSA-N
XLogP0.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(azetidin-3-ylidene)-N-[(4-methyloxan-4-yl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2,3-Dimethylbut-2-enoylamino)methyl]oxane-4-carboxamide
CID 123426660
N-butyl-4-[(2,3-dimethylbut-2-enoylamino)methyl]oxane-4-carboxamide
CID 123694173
2,3-Dimethyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)but-2-en-1-one
CID 123899569
2-(azetidin-3-ylidene)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]propanamide
CID 105791362
2-(azetidin-3-ylidene)-N-[1-(oxan-4-yl)ethyl]propanamide
CID 105809001
2-(azetidin-3-ylidene)-N-(4-methoxy-2,2-dimethylbutyl)propanamide
CID 114125125
2-(azetidin-3-ylidene)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
CID 114756668
2-(azetidin-3-ylidene)-N-(oxan-3-yl)propanamide
CID 116677876
2-(azetidin-3-ylidene)-N-methyl-N-(oxan-4-ylmethyl)propanamide
CID 116677920
2-(azetidin-3-ylidene)-N-(oxan-4-ylmethyl)propanamide
CID 116677922
2-(Azetidin-3-ylidene)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 116677986
2-(azetidin-3-ylidene)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 116678536

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[(4-methyloxan-4-yl)methyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[(4-methyloxan-4-yl)methyl]propanamide (CID 114125215) is 2-(azetidin-3-ylidene)-N-[(4-methyloxan-4-yl)methyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[(4-methyloxan-4-yl)methyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[(4-methyloxan-4-yl)methyl]propanamide is CC(C(=O)NCC1(C)CCOCC1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[(4-methyloxan-4-yl)methyl]propanamide?
The InChIKey is HRTCQHQZEPCHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(11-7-14-8-11)12(16)15-9-13(2)3-5-17-6-4-13/h14H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-(azetidin-3-ylidene)-N-[(4-methyloxan-4-yl)methyl]propanamide?
2-(azetidin-3-ylidene)-N-[(4-methyloxan-4-yl)methyl]propanamide has a molecular weight of 238.33 g/mol, XLogP of 0.84, 3 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-[(4-methyloxan-4-yl)methyl]propanamide is sourced from PubChem (CID 114125215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).