2-oxo-N-[(4-propan-2-ylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide

C16H21N3O2 — CID 2244317

IUPAC2-oxo-N-[(4-propan-2-ylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide
SMILESCC(C)c1ccc(C=NNC(=O)C(=O)N2CCCC2)cc1
InChIInChI=1S/C16H21N3O2/c1-12(2)14-7-5-13(6-8-14)11-17-18-15(20)16(21)19-9-3-4-10-19/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,18,20)
InChIKeyYPBWNZYLUFNWCU-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.88
Rot. Bonds3

About 2-oxo-N-[(4-propan-2-ylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide

2-oxo-N-[(4-propan-2-ylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide (PubChem CID 2244317) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-oxo-N-[(4-propan-2-ylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound Name2-oxo-N-[(4-propan-2-ylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide
PubChem CID2244317
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-oxo-N-[(4-propan-2-ylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide
SMILESCC(C)c1ccc(C=NNC(=O)C(=O)N2CCCC2)cc1
InChIInChI=1S/C16H21N3O2/c1-12(2)14-7-5-13(6-8-14)11-17-18-15(20)16(21)19-9-3-4-10-19/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,18,20)
InChIKeyYPBWNZYLUFNWCU-UHFFFAOYSA-N
XLogP1.88
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 5333289
N-[(4-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 3102338
N-[(E)-(4-fluorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 5333343
N-[(E)-(3-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 5335973
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 94833488
N',N'-diethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 6391153
N-(2-chlorophenyl)-N'-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 46741746
N-[(2,3-dichlorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 2263908
N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 3102347
N-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 94832530
N-[(E)-furan-2-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 5341260
N-(3,5-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 4123133

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(4-propan-2-ylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of 2-oxo-N-[(4-propan-2-ylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide (CID 2244317) is 2-oxo-N-[(4-propan-2-ylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for 2-oxo-N-[(4-propan-2-ylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for 2-oxo-N-[(4-propan-2-ylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide is CC(C)c1ccc(C=NNC(=O)C(=O)N2CCCC2)cc1.
What is the InChIKey of 2-oxo-N-[(4-propan-2-ylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide?
The InChIKey is YPBWNZYLUFNWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12(2)14-7-5-13(6-8-14)11-17-18-15(20)16(21)19-9-3-4-10-19/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,18,20).
What are the key properties of 2-oxo-N-[(4-propan-2-ylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide?
2-oxo-N-[(4-propan-2-ylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide has a molecular weight of 287.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(4-propan-2-ylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 2244317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).