2-[3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]benzamide

C16H18N4O4 — CID 30865584

IUPAC2-[3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]benzamide
SMILESCc1[nH]c(=O)n(C)c(=O)c1CCC(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C16H18N4O4/c1-9-10(15(23)20(2)16(24)18-9)7-8-13(21)19-12-6-4-3-5-11(12)14(17)22/h3-6H,7-8H2,1-2H3,(H2,17,22)(H,18,24)(H,19,21)
InChIKeyOHRDXSBPHMWCFA-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.05
Rot. Bonds5

About 2-[3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]benzamide

2-[3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]benzamide (PubChem CID 30865584) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-[3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]benzamide.

Molecular Properties

Compound Name2-[3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]benzamide
PubChem CID30865584
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name2-[3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]benzamide
SMILESCc1[nH]c(=O)n(C)c(=O)c1CCC(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C16H18N4O4/c1-9-10(15(23)20(2)16(24)18-9)7-8-13(21)19-12-6-4-3-5-11(12)14(17)22/h3-6H,7-8H2,1-2H3,(H2,17,22)(H,18,24)(H,19,21)
InChIKeyOHRDXSBPHMWCFA-UHFFFAOYSA-N
XLogP0.05
TPSA127.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 30865553
2-[3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanoylamino]benzamide
CID 135885950
2-(3-aminopropanoylamino)benzamide
CID 22692052
2-[3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoylamino]benzamide
CID 110683465
ethyl 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzoate
CID 108788630
2-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]benzamide
CID 2219826
2-(4-aminopentanoylamino)benzamide;hydrochloride
CID 120558709
2-(3-naphthalen-1-ylpropanoylamino)benzamide
CID 53278686
2-[4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanoylamino]benzamide
CID 9399029
2-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119673012
2-[3-(1H-indol-3-yl)propanoylamino]benzamide
CID 17415976
2-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide
CID 135418814

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]benzamide?
The IUPAC name of 2-[3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]benzamide (CID 30865584) is 2-[3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]benzamide.
What is the SMILES notation for 2-[3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]benzamide?
The canonical SMILES for 2-[3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]benzamide is Cc1[nH]c(=O)n(C)c(=O)c1CCC(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]benzamide?
The InChIKey is OHRDXSBPHMWCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-9-10(15(23)20(2)16(24)18-9)7-8-13(21)19-12-6-4-3-5-11(12)14(17)22/h3-6H,7-8H2,1-2H3,(H2,17,22)(H,18,24)(H,19,21).
What are the key properties of 2-[3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]benzamide?
2-[3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]benzamide has a molecular weight of 330.34 g/mol, XLogP of 0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]benzamide is sourced from PubChem (CID 30865584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).