N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-naphthalen-1-ylacetamide

C18H17N3O3 — CID 2148481

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-naphthalen-1-ylacetamide
SMILESCn1c(NC(=O)Cc2cccc3ccccc23)cc(=O)n(C)c1=O
InChIInChI=1S/C18H17N3O3/c1-20-15(11-17(23)21(2)18(20)24)19-16(22)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,11H,10H2,1-2H3,(H,19,22)
InChIKeyAXPZVPUIGVHMOG-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.42
Rot. Bonds3

About N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-naphthalen-1-ylacetamide

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-naphthalen-1-ylacetamide (PubChem CID 2148481) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-naphthalen-1-ylacetamide
PubChem CID2148481
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-naphthalen-1-ylacetamide
SMILESCn1c(NC(=O)Cc2cccc3ccccc23)cc(=O)n(C)c1=O
InChIInChI=1S/C18H17N3O3/c1-20-15(11-17(23)21(2)18(20)24)19-16(22)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,11H,10H2,1-2H3,(H,19,22)
InChIKeyAXPZVPUIGVHMOG-UHFFFAOYSA-N
XLogP1.42
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-naphthalen-1-ylacetamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-naphthalen-1-ylacetamide (CID 2148481) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-naphthalen-1-ylacetamide is Cn1c(NC(=O)Cc2cccc3ccccc23)cc(=O)n(C)c1=O.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-naphthalen-1-ylacetamide?
The InChIKey is AXPZVPUIGVHMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-20-15(11-17(23)21(2)18(20)24)19-16(22)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,11H,10H2,1-2H3,(H,19,22).
What are the key properties of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-naphthalen-1-ylacetamide?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-naphthalen-1-ylacetamide has a molecular weight of 323.35 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 2148481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).