2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[(2-methyloxolan-2-yl)methyl]benzamide

C17H21N3O4 — CID 46992861

IUPAC2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[(2-methyloxolan-2-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccccc2N2CCC(=O)NC2=O)CCCO1
InChIInChI=1S/C17H21N3O4/c1-17(8-4-10-24-17)11-18-15(22)12-5-2-3-6-13(12)20-9-7-14(21)19-16(20)23/h2-3,5-6H,4,7-11H2,1H3,(H,18,22)(H,19,21,23)
InChIKeyHSLFNJGTWCPJHP-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.43
Rot. Bonds4

About 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[(2-methyloxolan-2-yl)methyl]benzamide

2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[(2-methyloxolan-2-yl)methyl]benzamide (PubChem CID 46992861) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[(2-methyloxolan-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[(2-methyloxolan-2-yl)methyl]benzamide
PubChem CID46992861
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[(2-methyloxolan-2-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccccc2N2CCC(=O)NC2=O)CCCO1
InChIInChI=1S/C17H21N3O4/c1-17(8-4-10-24-17)11-18-15(22)12-5-2-3-6-13(12)20-9-7-14(21)19-16(20)23/h2-3,5-6H,4,7-11H2,1H3,(H,18,22)(H,19,21,23)
InChIKeyHSLFNJGTWCPJHP-UHFFFAOYSA-N
XLogP1.43
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-hydroxy-N-[(2-methyloxolan-2-yl)methyl]benzamide
CID 103747166
N-[(2-methyloxolan-2-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615172
2,6-dichloro-N-[(2-methyloxolan-2-yl)methyl]pyridine-3-carboxamide
CID 103747169
1-(2-fluorophenyl)-4-hydroxy-N-[(2-methyloxolan-2-yl)methyl]pyrazole-3-carboxamide
CID 126786836
2-[2-(aminomethyl)phenyl]-N-[(2-methyloxolan-2-yl)methyl]acetamide
CID 81321967
2-bromo-5-iodo-N-[(2-methyloxolan-2-yl)methyl]benzamide
CID 113362530
N-[(1R,3R)-3-aminocyclopentyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide
CID 56748106
2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 90652038
1-(2-hydroxyphenyl)-1,3-diazinane-2,4-dione
CID 15060157
2-amino-3-[(2-methyloxolan-2-yl)methylamino]benzoic acid
CID 115546585
N-[4-[(2-methyloxolan-2-yl)methylcarbamoyl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 71573238
1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-2-methyloxolan-2-yl]methyl]urea
CID 124618765

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[(2-methyloxolan-2-yl)methyl]benzamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[(2-methyloxolan-2-yl)methyl]benzamide (CID 46992861) is 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[(2-methyloxolan-2-yl)methyl]benzamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[(2-methyloxolan-2-yl)methyl]benzamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[(2-methyloxolan-2-yl)methyl]benzamide is CC1(CNC(=O)c2ccccc2N2CCC(=O)NC2=O)CCCO1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[(2-methyloxolan-2-yl)methyl]benzamide?
The InChIKey is HSLFNJGTWCPJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-17(8-4-10-24-17)11-18-15(22)12-5-2-3-6-13(12)20-9-7-14(21)19-16(20)23/h2-3,5-6H,4,7-11H2,1H3,(H,18,22)(H,19,21,23).
What are the key properties of 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[(2-methyloxolan-2-yl)methyl]benzamide?
2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[(2-methyloxolan-2-yl)methyl]benzamide has a molecular weight of 331.37 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[(2-methyloxolan-2-yl)methyl]benzamide is sourced from PubChem (CID 46992861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).