4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-hydroxyethyl)-N-methylbenzamide

C21H25N3O3 — CID 50813915

IUPAC4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-hydroxyethyl)-N-methylbenzamide
SMILESCN(CCO)C(=O)c1ccc(N2CCCN(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C21H25N3O3/c1-22(14-15-25)20(26)18-8-10-19(11-9-18)24-13-5-12-23(21(24)27)16-17-6-3-2-4-7-17/h2-4,6-11,25H,5,12-16H2,1H3
InChIKeyGJDIEHTYPKPTKW-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.58
Rot. Bonds6

About 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-hydroxyethyl)-N-methylbenzamide

4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-hydroxyethyl)-N-methylbenzamide (PubChem CID 50813915) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-hydroxyethyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-hydroxyethyl)-N-methylbenzamide
PubChem CID50813915
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-hydroxyethyl)-N-methylbenzamide
SMILESCN(CCO)C(=O)c1ccc(N2CCCN(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C21H25N3O3/c1-22(14-15-25)20(26)18-8-10-19(11-9-18)24-13-5-12-23(21(24)27)16-17-6-3-2-4-7-17/h2-4,6-11,25H,5,12-16H2,1H3
InChIKeyGJDIEHTYPKPTKW-UHFFFAOYSA-N
XLogP2.58
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-hydroxyethyl)-N-methylbenzamide?
The IUPAC name of 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-hydroxyethyl)-N-methylbenzamide (CID 50813915) is 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-hydroxyethyl)-N-methylbenzamide.
What is the SMILES notation for 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-hydroxyethyl)-N-methylbenzamide?
The canonical SMILES for 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-hydroxyethyl)-N-methylbenzamide is CN(CCO)C(=O)c1ccc(N2CCCN(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-hydroxyethyl)-N-methylbenzamide?
The InChIKey is GJDIEHTYPKPTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-22(14-15-25)20(26)18-8-10-19(11-9-18)24-13-5-12-23(21(24)27)16-17-6-3-2-4-7-17/h2-4,6-11,25H,5,12-16H2,1H3.
What are the key properties of 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-hydroxyethyl)-N-methylbenzamide?
4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-hydroxyethyl)-N-methylbenzamide has a molecular weight of 367.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-hydroxyethyl)-N-methylbenzamide is sourced from PubChem (CID 50813915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).