N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]-2-(4-methylphenoxy)acetamide

C21H24N2O3 — CID 7687442

IUPACN-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(N3CCCCC3=O)c(C)c2)cc1
InChIInChI=1S/C21H24N2O3/c1-15-6-9-18(10-7-15)26-14-20(24)22-17-8-11-19(16(2)13-17)23-12-4-3-5-21(23)25/h6-11,13H,3-5,12,14H2,1-2H3,(H,22,24)
InChIKeyLJADUMLPVGNTHK-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.84
Rot. Bonds5

About N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]-2-(4-methylphenoxy)acetamide

N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]-2-(4-methylphenoxy)acetamide (PubChem CID 7687442) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]-2-(4-methylphenoxy)acetamide
PubChem CID7687442
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(N3CCCCC3=O)c(C)c2)cc1
InChIInChI=1S/C21H24N2O3/c1-15-6-9-18(10-7-15)26-14-20(24)22-17-8-11-19(16(2)13-17)23-12-4-3-5-21(23)25/h6-11,13H,3-5,12,14H2,1-2H3,(H,22,24)
InChIKeyLJADUMLPVGNTHK-UHFFFAOYSA-N
XLogP3.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[3-methyl-4-(2-oxopiperidin-1-yl)anilino]-2-oxoethyl] 2-methylpropanoate
CID 7687436
[2-[3-methyl-4-(2-oxopiperidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate
CID 7687437
[2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate
CID 7686604
1-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-(4-methylphenoxy)ethyl]thiourea
CID 100679783
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30215188
2-(4-methoxyphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687329
N-(3,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26685964
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 42396014
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60718577
N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7687364
5-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
CID 43347098
2-(3-methylphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687320

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]-2-(4-methylphenoxy)acetamide (CID 7687442) is N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccc(N3CCCCC3=O)c(C)c2)cc1.
What is the InChIKey of N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is LJADUMLPVGNTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-6-9-18(10-7-15)26-14-20(24)22-17-8-11-19(16(2)13-17)23-12-4-3-5-21(23)25/h6-11,13H,3-5,12,14H2,1-2H3,(H,22,24).
What are the key properties of N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]-2-(4-methylphenoxy)acetamide?
N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 352.43 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 7687442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).