2-(azetidin-3-ylidene)-N-(3-methylphenyl)propanamide

C13H16N2O — CID 116674576

IUPAC2-(azetidin-3-ylidene)-N-(3-methylphenyl)propanamide
SMILESCC(C(=O)Nc1cccc(C)c1)=C1CNC1
InChIInChI=1S/C13H16N2O/c1-9-4-3-5-12(6-9)15-13(16)10(2)11-7-14-8-11/h3-6,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyREIOFAYAOLZRIU-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.85
Rot. Bonds2

About 2-(azetidin-3-ylidene)-N-(3-methylphenyl)propanamide

2-(azetidin-3-ylidene)-N-(3-methylphenyl)propanamide (PubChem CID 116674576) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(3-methylphenyl)propanamide
PubChem CID116674576
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-(azetidin-3-ylidene)-N-(3-methylphenyl)propanamide
SMILESCC(C(=O)Nc1cccc(C)c1)=C1CNC1
InChIInChI=1S/C13H16N2O/c1-9-4-3-5-12(6-9)15-13(16)10(2)11-7-14-8-11/h3-6,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyREIOFAYAOLZRIU-UHFFFAOYSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.85
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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Related Compounds

2-(azetidin-3-ylidene)-N-[3-(carbamoylamino)phenyl]propanamide
CID 116675705
2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-4-methylphenyl]propanamide
CID 116678635
N-(3-methylphenyl)acetamide
CID 10843
5-[2-(azetidin-3-ylidene)propanoylamino]benzene-1,3-dicarboxamide
CID 116677173
2-(azetidin-3-ylidene)-N-quinoxalin-6-ylpropanamide
CID 116675974
N-(3-hydroxyphenyl)-N'-(3-methylphenyl)oxamide
CID 10445826
2-bromo-N-(3-methylphenyl)prop-2-enamide
CID 150882432
N-(3-methylphenyl)-2-oxo-2-phenylacetamide
CID 82117205
N'-(2,6-difluorophenyl)-N-(3-methylphenyl)oxamide
CID 108515662
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
(E)-2-bromo-4-imino-3-methyl-N-(3-methylphenyl)but-2-enamide
CID 143713446

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(3-methylphenyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(3-methylphenyl)propanamide (CID 116674576) is 2-(azetidin-3-ylidene)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(3-methylphenyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(3-methylphenyl)propanamide is CC(C(=O)Nc1cccc(C)c1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(3-methylphenyl)propanamide?
The InChIKey is REIOFAYAOLZRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-4-3-5-12(6-9)15-13(16)10(2)11-7-14-8-11/h3-6,14H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-(azetidin-3-ylidene)-N-(3-methylphenyl)propanamide?
2-(azetidin-3-ylidene)-N-(3-methylphenyl)propanamide has a molecular weight of 216.28 g/mol, XLogP of 1.85, 2 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-(3-methylphenyl)propanamide is sourced from PubChem (CID 116674576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).