N-(3-methyl-2,6-dioxo-1,3-diazinan-4-yl)benzamide

C12H13N3O3 — CID 76851971

IUPACN-(3-methyl-2,6-dioxo-1,3-diazinan-4-yl)benzamide
SMILESCN1C(=O)NC(=O)CC1NC(=O)c1ccccc1
InChIInChI=1S/C12H13N3O3/c1-15-9(7-10(16)14-12(15)18)13-11(17)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,13,17)(H,14,16,18)
InChIKeyDEBLDMVBCWMPKD-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.31
Rot. Bonds2

About N-(3-methyl-2,6-dioxo-1,3-diazinan-4-yl)benzamide

N-(3-methyl-2,6-dioxo-1,3-diazinan-4-yl)benzamide (PubChem CID 76851971) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-(3-methyl-2,6-dioxo-1,3-diazinan-4-yl)benzamide.

Molecular Properties

Compound NameN-(3-methyl-2,6-dioxo-1,3-diazinan-4-yl)benzamide
PubChem CID76851971
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC NameN-(3-methyl-2,6-dioxo-1,3-diazinan-4-yl)benzamide
SMILESCN1C(=O)NC(=O)CC1NC(=O)c1ccccc1
InChIInChI=1S/C12H13N3O3/c1-15-9(7-10(16)14-12(15)18)13-11(17)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,13,17)(H,14,16,18)
InChIKeyDEBLDMVBCWMPKD-UHFFFAOYSA-N
XLogP0.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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ethane;N-(1-methylpiperidin-4-yl)benzamide
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N-(2-benzamidocyclobutyl)benzamide
CID 58037122
N-(1-methyl-1-azaspiro[4.5]decan-4-yl)benzamide
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N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441
N-(2-hydroxycyclopropyl)benzamide
CID 175468011
3-benzoylpyrrolidine-2,5-dione
CID 15178182
N-(1-cyclopentylpyrrolidin-2-yl)benzamide
CID 90727034
2-benzamidopiperidine-1-carboxylic acid
CID 151585360
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
CID 126477922

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2,6-dioxo-1,3-diazinan-4-yl)benzamide?
The IUPAC name of N-(3-methyl-2,6-dioxo-1,3-diazinan-4-yl)benzamide (CID 76851971) is N-(3-methyl-2,6-dioxo-1,3-diazinan-4-yl)benzamide.
What is the SMILES notation for N-(3-methyl-2,6-dioxo-1,3-diazinan-4-yl)benzamide?
The canonical SMILES for N-(3-methyl-2,6-dioxo-1,3-diazinan-4-yl)benzamide is CN1C(=O)NC(=O)CC1NC(=O)c1ccccc1.
What is the InChIKey of N-(3-methyl-2,6-dioxo-1,3-diazinan-4-yl)benzamide?
The InChIKey is DEBLDMVBCWMPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-15-9(7-10(16)14-12(15)18)13-11(17)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,13,17)(H,14,16,18).
What are the key properties of N-(3-methyl-2,6-dioxo-1,3-diazinan-4-yl)benzamide?
N-(3-methyl-2,6-dioxo-1,3-diazinan-4-yl)benzamide has a molecular weight of 247.25 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2,6-dioxo-1,3-diazinan-4-yl)benzamide is sourced from PubChem (CID 76851971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).