2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide

C21H21N3O3 — CID 90652038

IUPAC2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
SMILESO=C1CCN(c2ccccc2C(=O)NC2CCc3ccccc3C2)C(=O)N1
InChIInChI=1S/C21H21N3O3/c25-19-11-12-24(21(27)23-19)18-8-4-3-7-17(18)20(26)22-16-10-9-14-5-1-2-6-15(14)13-16/h1-8,16H,9-13H2,(H,22,26)(H,23,25,27)
InChIKeyHZNSOMJMPWUFOB-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.42
Rot. Bonds3

About 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide

2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide (PubChem CID 90652038) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
PubChem CID90652038
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
SMILESO=C1CCN(c2ccccc2C(=O)NC2CCc3ccccc3C2)C(=O)N1
InChIInChI=1S/C21H21N3O3/c25-19-11-12-24(21(27)23-19)18-8-4-3-7-17(18)20(26)22-16-10-9-14-5-1-2-6-15(14)13-16/h1-8,16H,9-13H2,(H,22,26)(H,23,25,27)
InChIKeyHZNSOMJMPWUFOB-UHFFFAOYSA-N
XLogP2.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide with MolForge

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Related Compounds

N-[(1R,3R)-3-aminocyclopentyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide
CID 56748106
2-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 60630141
6-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carboxamide
CID 103717380
1-prop-2-enoyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3,4-dihydro-2H-quinoline-5-carboxamide
CID 166420947
N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-4-carboxamide
CID 20872294
2-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
CID 10199216
5-amino-2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 10493163
2,6-difluoro-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 95271360
2,6-difluoro-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 95271362
1-(2-hydroxyphenyl)-1,3-diazinane-2,4-dione
CID 15060157
3,5-diamino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 62305417
2-chloro-5-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 106501740

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide (CID 90652038) is 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide is O=C1CCN(c2ccccc2C(=O)NC2CCc3ccccc3C2)C(=O)N1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide?
The InChIKey is HZNSOMJMPWUFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-19-11-12-24(21(27)23-19)18-8-4-3-7-17(18)20(26)22-16-10-9-14-5-1-2-6-15(14)13-16/h1-8,16H,9-13H2,(H,22,26)(H,23,25,27).
What are the key properties of 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide?
2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide has a molecular weight of 363.42 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide is sourced from PubChem (CID 90652038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).