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

C14H19N3O — CID 116675007

IUPAC2-(azetidin-3-ylidene)-N-[4-(dimethylamino)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(N(C)C)cc1)=C1CNC1
InChIInChI=1S/C14H19N3O/c1-10(11-8-15-9-11)14(18)16-12-4-6-13(7-5-12)17(2)3/h4-7,15H,8-9H2,1-3H3,(H,16,18)
InChIKeyMWFWZKVFLUEKNV-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.61
Rot. Bonds3

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

2-(azetidin-3-ylidene)-N-[4-(dimethylamino)phenyl]propanamide (PubChem CID 116675007) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[4-(dimethylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[4-(dimethylamino)phenyl]propanamide
PubChem CID116675007
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(azetidin-3-ylidene)-N-[4-(dimethylamino)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(N(C)C)cc1)=C1CNC1
InChIInChI=1S/C14H19N3O/c1-10(11-8-15-9-11)14(18)16-12-4-6-13(7-5-12)17(2)3/h4-7,15H,8-9H2,1-3H3,(H,16,18)
InChIKeyMWFWZKVFLUEKNV-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[4-(dimethylamino)phenyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[4-(dimethylamino)phenyl]propanamide (CID 116675007) is 2-(azetidin-3-ylidene)-N-[4-(dimethylamino)phenyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[4-(dimethylamino)phenyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[4-(dimethylamino)phenyl]propanamide is CC(C(=O)Nc1ccc(N(C)C)cc1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[4-(dimethylamino)phenyl]propanamide?
The InChIKey is MWFWZKVFLUEKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(11-8-15-9-11)14(18)16-12-4-6-13(7-5-12)17(2)3/h4-7,15H,8-9H2,1-3H3,(H,16,18).
What are the key properties of 2-(azetidin-3-ylidene)-N-[4-(dimethylamino)phenyl]propanamide?
2-(azetidin-3-ylidene)-N-[4-(dimethylamino)phenyl]propanamide has a molecular weight of 245.33 g/mol, XLogP of 1.61, 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-(dimethylamino)phenyl]propanamide is sourced from PubChem (CID 116675007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).