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

C14H17N3O3 — CID 3102338

IUPACN-[(4-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESCOc1ccc(C=NNC(=O)C(=O)N2CCCC2)cc1
InChIInChI=1S/C14H17N3O3/c1-20-12-6-4-11(5-7-12)10-15-16-13(18)14(19)17-8-2-3-9-17/h4-7,10H,2-3,8-9H2,1H3,(H,16,18)
InChIKeyMJLVZURLTPVYFF-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.77
Rot. Bonds3

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

N-[(4-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide (PubChem CID 3102338) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
PubChem CID3102338
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-[(4-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESCOc1ccc(C=NNC(=O)C(=O)N2CCCC2)cc1
InChIInChI=1S/C14H17N3O3/c1-20-12-6-4-11(5-7-12)10-15-16-13(18)14(19)17-8-2-3-9-17/h4-7,10H,2-3,8-9H2,1H3,(H,16,18)
InChIKeyMJLVZURLTPVYFF-UHFFFAOYSA-N
XLogP0.77
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-oxo-N-[(4-propan-2-ylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide
CID 2244317
N-[(E)-(4-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 5333289
N-[(E)-(4-fluorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 5333343
N-[(Z)-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 94836741
N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 2590460
N-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 94832530
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 94833488
2-(azepan-1-yl)-N-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]-2-oxoacetamide
CID 94832596
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
2-(azepan-1-yl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxoacetamide
CID 136764626
N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 3102347
N',N'-diethyl-N-[(4-methoxyphenyl)methylideneamino]oxamide
CID 5115674

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[(4-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide (CID 3102338) is N-[(4-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide is COc1ccc(C=NNC(=O)C(=O)N2CCCC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The InChIKey is MJLVZURLTPVYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-20-12-6-4-11(5-7-12)10-15-16-13(18)14(19)17-8-2-3-9-17/h4-7,10H,2-3,8-9H2,1H3,(H,16,18).
What are the key properties of N-[(4-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
N-[(4-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide has a molecular weight of 275.31 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 3102338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).