4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-ethoxyphenyl)benzamide

C26H27N3O3 — CID 50754372

IUPAC4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-ethoxyphenyl)benzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(N2CCCN(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C26H27N3O3/c1-2-32-24-12-7-6-11-23(24)27-25(30)21-13-15-22(16-14-21)29-18-8-17-28(26(29)31)19-20-9-4-3-5-10-20/h3-7,9-16H,2,8,17-19H2,1H3,(H,27,30)
InChIKeyPTBCLJBKJSXRGY-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.17
Rot. Bonds7

About 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-ethoxyphenyl)benzamide

4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-ethoxyphenyl)benzamide (PubChem CID 50754372) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-ethoxyphenyl)benzamide
PubChem CID50754372
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-ethoxyphenyl)benzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(N2CCCN(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C26H27N3O3/c1-2-32-24-12-7-6-11-23(24)27-25(30)21-13-15-22(16-14-21)29-18-8-17-28(26(29)31)19-20-9-4-3-5-10-20/h3-7,9-16H,2,8,17-19H2,1H3,(H,27,30)
InChIKeyPTBCLJBKJSXRGY-UHFFFAOYSA-N
XLogP5.17
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-phenylbenzamide
CID 50754409
N-(2-methylphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
CID 50754330
N-[5-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-2-chlorophenyl]-4-methoxybenzamide
CID 42869693
methyl 2-[[3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)benzoyl]amino]benzoate
CID 50814326
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2-ethoxyphenyl)benzamide
CID 3138297
N-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 46156673
N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-methoxybenzamide
CID 42849025
N-[4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methoxybenzamide
CID 46040810
N-(3-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
CID 50813999
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-ethoxyphenyl)benzamide
CID 2273251
4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 50754186
N-(4-chlorophenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
CID 50814002

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-ethoxyphenyl)benzamide?
The IUPAC name of 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-ethoxyphenyl)benzamide (CID 50754372) is 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-ethoxyphenyl)benzamide.
What is the SMILES notation for 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-ethoxyphenyl)benzamide?
The canonical SMILES for 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-ethoxyphenyl)benzamide is CCOc1ccccc1NC(=O)c1ccc(N2CCCN(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-ethoxyphenyl)benzamide?
The InChIKey is PTBCLJBKJSXRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-2-32-24-12-7-6-11-23(24)27-25(30)21-13-15-22(16-14-21)29-18-8-17-28(26(29)31)19-20-9-4-3-5-10-20/h3-7,9-16H,2,8,17-19H2,1H3,(H,27,30).
What are the key properties of 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-ethoxyphenyl)benzamide?
4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-ethoxyphenyl)benzamide has a molecular weight of 429.52 g/mol, XLogP of 5.17, 7 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-ethoxyphenyl)benzamide is sourced from PubChem (CID 50754372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).