2-(azetidin-3-yl)-N-benzyl-N-(cyanomethyl)propanamide

C15H19N3O — CID 116676863

IUPAC2-(azetidin-3-yl)-N-benzyl-N-(cyanomethyl)propanamide
SMILESCC(C(=O)N(CC#N)Cc1ccccc1)C1CNC1
InChIInChI=1S/C15H19N3O/c1-12(14-9-17-10-14)15(19)18(8-7-16)11-13-5-3-2-4-6-13/h2-6,12,14,17H,8-11H2,1H3
InChIKeyGANVTGVNVXCSOW-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.39
Rot. Bonds5

About 2-(azetidin-3-yl)-N-benzyl-N-(cyanomethyl)propanamide

2-(azetidin-3-yl)-N-benzyl-N-(cyanomethyl)propanamide (PubChem CID 116676863) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-benzyl-N-(cyanomethyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-benzyl-N-(cyanomethyl)propanamide
PubChem CID116676863
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(azetidin-3-yl)-N-benzyl-N-(cyanomethyl)propanamide
SMILESCC(C(=O)N(CC#N)Cc1ccccc1)C1CNC1
InChIInChI=1S/C15H19N3O/c1-12(14-9-17-10-14)15(19)18(8-7-16)11-13-5-3-2-4-6-13/h2-6,12,14,17H,8-11H2,1H3
InChIKeyGANVTGVNVXCSOW-UHFFFAOYSA-N
XLogP1.39
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(azetidin-3-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]propanamide
CID 116676204
3-amino-N-benzyl-N-(cyanomethyl)-2-methylpropanamide
CID 55104706
2-(azetidin-3-yl)-N-ethyl-N-(2-phenylethyl)propanamide
CID 116676512
N-benzyl-N-(cyanomethyl)pyrrolidine-3-carboxamide
CID 63005731
N-benzyl-N-(cyanomethyl)cyclopropanecarboxamide
CID 61035902
2-amino-N-benzyl-N-(cyanomethyl)butanediamide
CID 54916654
(2S)-2-amino-N-benzyl-N-(cyanomethyl)hexanamide
CID 93469866
N-benzyl-N-(cyanomethyl)-2-morpholin-2-ylacetamide
CID 66429565
N-benzyl-N-(cyanomethyl)furan-2-carboxamide
CID 61035761
N-benzyl-N-(cyanomethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627134
N-benzyl-N-(cyanomethyl)-2-piperidin-4-yloxyacetamide
CID 63875533
4-[benzyl(cyanomethyl)amino]-4-oxobutanoic acid
CID 54916538

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-benzyl-N-(cyanomethyl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-benzyl-N-(cyanomethyl)propanamide (CID 116676863) is 2-(azetidin-3-yl)-N-benzyl-N-(cyanomethyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-benzyl-N-(cyanomethyl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-benzyl-N-(cyanomethyl)propanamide is CC(C(=O)N(CC#N)Cc1ccccc1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-benzyl-N-(cyanomethyl)propanamide?
The InChIKey is GANVTGVNVXCSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12(14-9-17-10-14)15(19)18(8-7-16)11-13-5-3-2-4-6-13/h2-6,12,14,17H,8-11H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-N-benzyl-N-(cyanomethyl)propanamide?
2-(azetidin-3-yl)-N-benzyl-N-(cyanomethyl)propanamide has a molecular weight of 257.34 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-benzyl-N-(cyanomethyl)propanamide is sourced from PubChem (CID 116676863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).