2-(azetidin-3-ylidene)-N-(2-pyrrolidin-1-ylphenyl)propanamide

C16H21N3O — CID 116675292

IUPAC2-(azetidin-3-ylidene)-N-(2-pyrrolidin-1-ylphenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1N1CCCC1)=C1CNC1
InChIInChI=1S/C16H21N3O/c1-12(13-10-17-11-13)16(20)18-14-6-2-3-7-15(14)19-8-4-5-9-19/h2-3,6-7,17H,4-5,8-11H2,1H3,(H,18,20)
InChIKeyNBFZIIFLYJMTFJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.14
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-(2-pyrrolidin-1-ylphenyl)propanamide

2-(azetidin-3-ylidene)-N-(2-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 116675292) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2-pyrrolidin-1-ylphenyl)propanamide
PubChem CID116675292
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(azetidin-3-ylidene)-N-(2-pyrrolidin-1-ylphenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1N1CCCC1)=C1CNC1
InChIInChI=1S/C16H21N3O/c1-12(13-10-17-11-13)16(20)18-14-6-2-3-7-15(14)19-8-4-5-9-19/h2-3,6-7,17H,4-5,8-11H2,1H3,(H,18,20)
InChIKeyNBFZIIFLYJMTFJ-UHFFFAOYSA-N
XLogP2.14
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.14
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

N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea
CID 2814230
5-acetyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 11255926
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
2,2,2-trichloro-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 890592
2-amino-N-(2-pyrrolidin-1-ylphenyl)propanamide;hydrochloride
CID 119164504
2-methoxy-2-methyl-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 103028843
3-methyl-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 63141494
N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyrrolidin-1-ylphenyl)oxamide
CID 51080556
2,2-difluoro-N-(2-piperidin-1-ylphenyl)acetamide
CID 103600704
3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 7492197
trans-(1R,2R)-N-[2-(azepan-1-yl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 51931889

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(2-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2-pyrrolidin-1-ylphenyl)propanamide (CID 116675292) is 2-(azetidin-3-ylidene)-N-(2-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2-pyrrolidin-1-ylphenyl)propanamide is CC(C(=O)Nc1ccccc1N1CCCC1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is NBFZIIFLYJMTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(13-10-17-11-13)16(20)18-14-6-2-3-7-15(14)19-8-4-5-9-19/h2-3,6-7,17H,4-5,8-11H2,1H3,(H,18,20).
What are the key properties of 2-(azetidin-3-ylidene)-N-(2-pyrrolidin-1-ylphenyl)propanamide?
2-(azetidin-3-ylidene)-N-(2-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 271.36 g/mol, XLogP of 2.14, 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-(2-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 116675292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).