2-(3-methylphenoxy)-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide

C21H23N3O3 — CID 8979018

IUPAC2-(3-methylphenoxy)-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1cccc(C)c1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H23N3O3/c1-15-5-3-6-19(13-15)27-14-20(25)23-22-16(2)17-8-10-18(11-9-17)24-12-4-7-21(24)26/h3,5-6,8-11,13H,4,7,12,14H2,1-2H3,(H,23,25)/b22-16-
InChIKeyWQMLPGFKSFGBOM-JWGURIENSA-N
MW365.43 g/mol
LogP3.04
Rot. Bonds6

About 2-(3-methylphenoxy)-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide

2-(3-methylphenoxy)-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide (PubChem CID 8979018) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide
PubChem CID8979018
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-(3-methylphenoxy)-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1cccc(C)c1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H23N3O3/c1-15-5-3-6-19(13-15)27-14-20(25)23-22-16(2)17-8-10-18(11-9-17)24-12-4-7-21(24)26/h3,5-6,8-11,13H,4,7,12,14H2,1-2H3,(H,23,25)/b22-16-
InChIKeyWQMLPGFKSFGBOM-JWGURIENSA-N
XLogP3.04
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 968545
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 6938758
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 969299
2-(3-methylphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687320
2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide
CID 46496046
2-(3-methylphenoxy)ethyl 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404577
2-(3-methylphenoxy)-N-[(Z)-1-(4-propoxyphenyl)ethylideneamino]acetamide
CID 7934604
N-[(3-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 38294113
N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 4657371
N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide
CID 19685184
N-(3,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26685964
N-cyclooctyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18106196

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide (CID 8979018) is 2-(3-methylphenoxy)-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide is C/C(=N/NC(=O)COc1cccc(C)c1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide?
The InChIKey is WQMLPGFKSFGBOM-JWGURIENSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15-5-3-6-19(13-15)27-14-20(25)23-22-16(2)17-8-10-18(11-9-17)24-12-4-7-21(24)26/h3,5-6,8-11,13H,4,7,12,14H2,1-2H3,(H,23,25)/b22-16-.
What are the key properties of 2-(3-methylphenoxy)-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide?
2-(3-methylphenoxy)-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide has a molecular weight of 365.43 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide is sourced from PubChem (CID 8979018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).