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

C14H17N3O2 — CID 116675629

IUPACN-[4-(2-amino-2-oxoethyl)phenyl]-2-(azetidin-3-ylidene)propanamide
SMILESCC(C(=O)Nc1ccc(CC(N)=O)cc1)=C1CNC1
InChIInChI=1S/C14H17N3O2/c1-9(11-7-16-8-11)14(19)17-12-4-2-10(3-5-12)6-13(15)18/h2-5,16H,6-8H2,1H3,(H2,15,18)(H,17,19)
InChIKeyOUAJSGBFLUHHBS-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.57
Rot. Bonds4

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

N-[4-(2-amino-2-oxoethyl)phenyl]-2-(azetidin-3-ylidene)propanamide (PubChem CID 116675629) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)phenyl]-2-(azetidin-3-ylidene)propanamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)phenyl]-2-(azetidin-3-ylidene)propanamide
PubChem CID116675629
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[4-(2-amino-2-oxoethyl)phenyl]-2-(azetidin-3-ylidene)propanamide
SMILESCC(C(=O)Nc1ccc(CC(N)=O)cc1)=C1CNC1
InChIInChI=1S/C14H17N3O2/c1-9(11-7-16-8-11)14(19)17-12-4-2-10(3-5-12)6-13(15)18/h2-5,16H,6-8H2,1H3,(H2,15,18)(H,17,19)
InChIKeyOUAJSGBFLUHHBS-UHFFFAOYSA-N
XLogP0.57
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.57
H-Bond Donors ≤ 53
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
2-(azetidin-3-ylidene)-N-[4-(ethylsulfamoyl)phenyl]propanamide
CID 116675707
2-(azetidin-3-ylidene)-N-[4-(triazol-2-yl)phenyl]propanamide
CID 116675099
4-[2-(azetidin-3-ylidene)propanoylamino]-N-propan-2-ylbenzamide
CID 116676031
2-(azetidin-3-ylidene)-N-[4-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 116675339
2-(azetidin-3-ylidene)-N-(4-morpholin-4-ylphenyl)propanamide
CID 116677354
2-(azetidin-3-ylidene)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 116676072
2-[4-(dimethylcarbamoylamino)phenyl]acetamide
CID 47203177
2-(azetidin-3-ylidene)-N-(2-phenylpyrimidin-5-yl)propanamide
CID 116675615
2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-4-methylphenyl]propanamide
CID 116678635
2-(azetidin-3-ylidene)-N-(3-bromo-4-methoxyphenyl)propanamide
CID 116678229
ethane;2-[4-(methylamino)phenyl]acetamide
CID 142212219

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-2-(azetidin-3-ylidene)propanamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-2-(azetidin-3-ylidene)propanamide (CID 116675629) is N-[4-(2-amino-2-oxoethyl)phenyl]-2-(azetidin-3-ylidene)propanamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)phenyl]-2-(azetidin-3-ylidene)propanamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)phenyl]-2-(azetidin-3-ylidene)propanamide is CC(C(=O)Nc1ccc(CC(N)=O)cc1)=C1CNC1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)phenyl]-2-(azetidin-3-ylidene)propanamide?
The InChIKey is OUAJSGBFLUHHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(11-7-16-8-11)14(19)17-12-4-2-10(3-5-12)6-13(15)18/h2-5,16H,6-8H2,1H3,(H2,15,18)(H,17,19).
What are the key properties of N-[4-(2-amino-2-oxoethyl)phenyl]-2-(azetidin-3-ylidene)propanamide?
N-[4-(2-amino-2-oxoethyl)phenyl]-2-(azetidin-3-ylidene)propanamide has a molecular weight of 259.31 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)phenyl]-2-(azetidin-3-ylidene)propanamide is sourced from PubChem (CID 116675629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).