N-benzyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propan-2-ylacetamide

C16H19N3O3 — CID 110700056

IUPACN-benzyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C16H19N3O3/c1-11(2)19(10-12-6-4-3-5-7-12)15(21)9-13-8-14(20)18-16(22)17-13/h3-8,11H,9-10H2,1-2H3,(H2,17,18,20,22)
InChIKeyVWJQFKORBUNBOD-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.04
Rot. Bonds5

About N-benzyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propan-2-ylacetamide

N-benzyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propan-2-ylacetamide (PubChem CID 110700056) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-benzyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propan-2-ylacetamide
PubChem CID110700056
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-benzyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C16H19N3O3/c1-11(2)19(10-12-6-4-3-5-7-12)15(21)9-13-8-14(20)18-16(22)17-13/h3-8,11H,9-10H2,1-2H3,(H2,17,18,20,22)
InChIKeyVWJQFKORBUNBOD-UHFFFAOYSA-N
XLogP1.04
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(2-methylphenyl)-N-propan-2-ylacetamide
CID 113098358
N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide
CID 110774001
N-benzyl-N-propan-2-yl-2-(1H-pyrrol-3-yl)acetamide
CID 110769169
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 55008446
N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961
N-benzyl-5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide
CID 110600658
N-benzyl-N-propan-2-ylacetamide
CID 23534449
N-benzyl-2-cyano-N-propan-2-ylacetamide
CID 24702925
N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide
CID 108946081
N-benzyl-2-(2-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 113154114
N-benzyl-2-[benzyl(ethyl)amino]-N-propan-2-ylacetamide
CID 108998910
N-benzyl-2-phenyl-N-(1-phenylethyl)acetamide
CID 86229489

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propan-2-ylacetamide (CID 110700056) is N-benzyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propan-2-ylacetamide is CC(C)N(Cc1ccccc1)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-benzyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propan-2-ylacetamide?
The InChIKey is VWJQFKORBUNBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11(2)19(10-12-6-4-3-5-7-12)15(21)9-13-8-14(20)18-16(22)17-13/h3-8,11H,9-10H2,1-2H3,(H2,17,18,20,22).
What are the key properties of N-benzyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propan-2-ylacetamide?
N-benzyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propan-2-ylacetamide has a molecular weight of 301.35 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 110700056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).