N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-methylphenoxy)acetamide

C20H23N3O3 — CID 110666893

IUPACN-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc(N2CCCN(C)C2=O)cc1
InChIInChI=1S/C20H23N3O3/c1-15-6-3-4-7-18(15)26-14-19(24)21-16-8-10-17(11-9-16)23-13-5-12-22(2)20(23)25/h3-4,6-11H,5,12-14H2,1-2H3,(H,21,24)
InChIKeyKVDJDIYZFURGCO-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.27
Rot. Bonds5

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

N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-methylphenoxy)acetamide (PubChem CID 110666893) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-methylphenoxy)acetamide
PubChem CID110666893
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc(N2CCCN(C)C2=O)cc1
InChIInChI=1S/C20H23N3O3/c1-15-6-3-4-7-18(15)26-14-19(24)21-16-8-10-17(11-9-16)23-13-5-12-22(2)20(23)25/h3-4,6-11H,5,12-14H2,1-2H3,(H,21,24)
InChIKeyKVDJDIYZFURGCO-UHFFFAOYSA-N
XLogP3.27
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxyphenyl)-2-(2-methylphenoxy)acetamide
CID 38113216
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 3287897
2-(2-bromophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8603256
2-(4-chloro-2-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716544
N-[4-(dimethylamino)phenyl]-2-(2-methylphenoxy)acetamide
CID 2443872
N'-[2-(2-methylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 9470070
2-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethoxy]benzamide
CID 27696328
2-(2-methylphenoxy)-N-pyridin-4-ylacetamide
CID 1101312
2-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethoxy]-N-phenylbenzamide
CID 17419102
2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9078575
1-cyclopentyl-3-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]urea
CID 110666930
N-[4-(4-methylmorpholin-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 110720386

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-methylphenoxy)acetamide (CID 110666893) is N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1ccc(N2CCCN(C)C2=O)cc1.
What is the InChIKey of N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is KVDJDIYZFURGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-15-6-3-4-7-18(15)26-14-19(24)21-16-8-10-17(11-9-16)23-13-5-12-22(2)20(23)25/h3-4,6-11H,5,12-14H2,1-2H3,(H,21,24).
What are the key properties of N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-methylphenoxy)acetamide?
N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 353.42 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 110666893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).