2-(azetidin-3-ylidene)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide

C12H20N2O3 — CID 114170218

IUPAC2-(azetidin-3-ylidene)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
SMILESCC(C(=O)NC1(CO)CCOCC1)=C1CNC1
InChIInChI=1S/C12H20N2O3/c1-9(10-6-13-7-10)11(16)14-12(8-15)2-4-17-5-3-12/h13,15H,2-8H2,1H3,(H,14,16)
InChIKeyCJOSQUDZYRIZLJ-UHFFFAOYSA-N
MW240.30 g/mol
LogP-0.44
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide

2-(azetidin-3-ylidene)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide (PubChem CID 114170218) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
PubChem CID114170218
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-(azetidin-3-ylidene)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
SMILESCC(C(=O)NC1(CO)CCOCC1)=C1CNC1
InChIInChI=1S/C12H20N2O3/c1-9(10-6-13-7-10)11(16)14-12(8-15)2-4-17-5-3-12/h13,15H,2-8H2,1H3,(H,14,16)
InChIKeyCJOSQUDZYRIZLJ-UHFFFAOYSA-N
XLogP-0.44
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(azetidin-3-ylidene)-N-[4-(hydroxymethyl)oxan-4-yl]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

(E,2Z)-2-ethylidene-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylpent-3-enamide
CID 170599713
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
N-[1-(hydroxymethyl)cyclopropyl]-2-oxopropanamide
CID 139551842
N-[4-(hydroxymethyl)oxan-4-yl]-4-methylpiperidine-4-carboxamide
CID 106298831
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
CID 106297187
N-[4-(hydroxymethyl)oxan-4-yl]-4-methylpyrrolidine-3-carboxamide
CID 106298598
N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethylfuran-3-carboxamide
CID 136541245
N-[4-(hydroxymethyl)oxan-4-yl]-2-methylthiolane-2-carboxamide
CID 106298135
2-(azetidin-3-ylidene)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
CID 114756668
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
CID 106298521
(E)-N-[4-(hydroxymethyl)oxan-4-yl]-3-(3-methylphenyl)prop-2-enamide
CID 104630400
(E)-N-[4-(hydroxymethyl)oxan-4-yl]-3-(4-methylphenyl)prop-2-enamide
CID 103954316

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide (CID 114170218) is 2-(azetidin-3-ylidene)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide is CC(C(=O)NC1(CO)CCOCC1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide?
The InChIKey is CJOSQUDZYRIZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-9(10-6-13-7-10)11(16)14-12(8-15)2-4-17-5-3-12/h13,15H,2-8H2,1H3,(H,14,16).
What are the key properties of 2-(azetidin-3-ylidene)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide?
2-(azetidin-3-ylidene)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide has a molecular weight of 240.30 g/mol, XLogP of -0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide is sourced from PubChem (CID 114170218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).