4-(4-cyano-2-methoxyphenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide

C19H25N3O4 — CID 46469598

IUPAC4-(4-cyano-2-methoxyphenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
SMILESCOc1cc(C#N)ccc1OCCCC(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C19H25N3O4/c1-25-17-13-15(14-20)6-7-16(17)26-12-4-5-18(23)21-9-8-19(24)22-10-2-3-11-22/h6-7,13H,2-5,8-12H2,1H3,(H,21,23)
InChIKeyRYIXTVAKPUGXOA-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.85
Rot. Bonds9

About 4-(4-cyano-2-methoxyphenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide

4-(4-cyano-2-methoxyphenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide (PubChem CID 46469598) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-(4-cyano-2-methoxyphenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide.

Molecular Properties

Compound Name4-(4-cyano-2-methoxyphenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
PubChem CID46469598
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name4-(4-cyano-2-methoxyphenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
SMILESCOc1cc(C#N)ccc1OCCCC(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C19H25N3O4/c1-25-17-13-15(14-20)6-7-16(17)26-12-4-5-18(23)21-9-8-19(24)22-10-2-3-11-22/h6-7,13H,2-5,8-12H2,1H3,(H,21,23)
InChIKeyRYIXTVAKPUGXOA-UHFFFAOYSA-N
XLogP1.85
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-4-oxobutoxy]-3-methoxybenzonitrile
CID 46471092
4-[4-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-4-oxobutoxy]-3-methoxybenzonitrile
CID 55718497
4-[4-(4-benzoylpiperidin-1-yl)-4-oxobutoxy]-3-methoxybenzonitrile
CID 55713245
4-(4-cyano-2-methoxyphenoxy)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide
CID 55713088
1-[4-(4-cyano-2-methoxyphenoxy)butanoyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55779180
4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide
CID 46472197
4-(4-cyano-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 78789106
4-(4-cyano-2-methoxyphenoxy)-N-(1H-pyrazol-5-yl)butanamide
CID 47835221
N-(1,3-benzodioxol-5-yl)-1-[4-(4-cyano-2-methoxyphenoxy)butanoyl]piperidine-4-carboxamide
CID 55719954
4-(4-cyano-2-methoxyphenoxy)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide
CID 55795593
4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide
CID 46484895
3-methoxy-4-[4-oxo-4-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butoxy]benzonitrile
CID 55719300

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide?
The IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide (CID 46469598) is 4-(4-cyano-2-methoxyphenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide.
What is the SMILES notation for 4-(4-cyano-2-methoxyphenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide?
The canonical SMILES for 4-(4-cyano-2-methoxyphenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide is COc1cc(C#N)ccc1OCCCC(=O)NCCC(=O)N1CCCC1.
What is the InChIKey of 4-(4-cyano-2-methoxyphenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide?
The InChIKey is RYIXTVAKPUGXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-25-17-13-15(14-20)6-7-16(17)26-12-4-5-18(23)21-9-8-19(24)22-10-2-3-11-22/h6-7,13H,2-5,8-12H2,1H3,(H,21,23).
What are the key properties of 4-(4-cyano-2-methoxyphenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide?
4-(4-cyano-2-methoxyphenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide has a molecular weight of 359.43 g/mol, XLogP of 1.85, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2-methoxyphenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide is sourced from PubChem (CID 46469598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).