2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-4-methylphenyl]propanamide

C15H21N3O — CID 116678635

IUPAC2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-4-methylphenyl]propanamide
SMILESCC(C(=O)Nc1ccc(C)c(N(C)C)c1)=C1CNC1
InChIInChI=1S/C15H21N3O/c1-10-5-6-13(7-14(10)18(3)4)17-15(19)11(2)12-8-16-9-12/h5-7,16H,8-9H2,1-4H3,(H,17,19)
InChIKeyHNHMFJPJBDZLIY-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.92
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-4-methylphenyl]propanamide

2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-4-methylphenyl]propanamide (PubChem CID 116678635) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-4-methylphenyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-4-methylphenyl]propanamide
PubChem CID116678635
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-4-methylphenyl]propanamide
SMILESCC(C(=O)Nc1ccc(C)c(N(C)C)c1)=C1CNC1
InChIInChI=1S/C15H21N3O/c1-10-5-6-13(7-14(10)18(3)4)17-15(19)11(2)12-8-16-9-12/h5-7,16H,8-9H2,1-4H3,(H,17,19)
InChIKeyHNHMFJPJBDZLIY-UHFFFAOYSA-N
XLogP1.92
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.92
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-(azetidin-3-ylidene)-N-[4-(dimethylamino)phenyl]propanamide
CID 116675007
N-(5-acetamido-2-methylphenyl)-2-(azetidin-3-ylidene)propanamide
CID 116675089
2-(azetidin-3-ylidene)-N-(3-methylphenyl)propanamide
CID 116674576
N-[3-(dimethylamino)-4-methylphenyl]-2-oxo-2-piperazin-1-ylacetamide
CID 115378763
N-[3-(dimethylamino)-4-methylphenyl]-2,2-dimethylpropanamide
CID 115379519
N-[3-(dimethylamino)-4-methylphenyl]-2,2-difluoroacetamide
CID 103515923
2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-methylamino]acetic acid
CID 115378578
5-[2-(azetidin-3-ylidene)propanoylamino]benzene-1,3-dicarboxamide
CID 116677173
2-(azetidin-3-ylidene)-N-(4-iodo-2-methylphenyl)propanamide
CID 116675540
2-(azetidin-3-ylidene)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 116676072
2-(azetidin-3-ylidene)-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 116678876
N-[3-(dimethylamino)-4-methylphenyl]piperidine-3-carboxamide
CID 115377234

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-4-methylphenyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-4-methylphenyl]propanamide (CID 116678635) is 2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-4-methylphenyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-4-methylphenyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-4-methylphenyl]propanamide is CC(C(=O)Nc1ccc(C)c(N(C)C)c1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-4-methylphenyl]propanamide?
The InChIKey is HNHMFJPJBDZLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-5-6-13(7-14(10)18(3)4)17-15(19)11(2)12-8-16-9-12/h5-7,16H,8-9H2,1-4H3,(H,17,19).
What are the key properties of 2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-4-methylphenyl]propanamide?
2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-4-methylphenyl]propanamide has a molecular weight of 259.35 g/mol, XLogP of 1.92, 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-[3-(dimethylamino)-4-methylphenyl]propanamide is sourced from PubChem (CID 116678635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).