N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-naphthalen-2-yloxyacetamide

C23H28N4O4 — CID 16614219

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-naphthalen-2-yloxyacetamide
SMILESCCCCN(C(=O)COc1ccc2ccccc2c1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C23H28N4O4/c1-3-5-13-26(20-21(24)27(12-4-2)23(30)25-22(20)29)19(28)15-31-18-11-10-16-8-6-7-9-17(16)14-18/h6-11,14H,3-5,12-13,15,24H2,1-2H3,(H,25,29,30)
InChIKeyJIOMOSXQWXGPQE-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.89
Rot. Bonds9

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-naphthalen-2-yloxyacetamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-naphthalen-2-yloxyacetamide (PubChem CID 16614219) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-naphthalen-2-yloxyacetamide
PubChem CID16614219
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-naphthalen-2-yloxyacetamide
SMILESCCCCN(C(=O)COc1ccc2ccccc2c1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C23H28N4O4/c1-3-5-13-26(20-21(24)27(12-4-2)23(30)25-22(20)29)19(28)15-31-18-11-10-16-8-6-7-9-17(16)14-18/h6-11,14H,3-5,12-13,15,24H2,1-2H3,(H,25,29,30)
InChIKeyJIOMOSXQWXGPQE-UHFFFAOYSA-N
XLogP2.89
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-naphthalen-2-yloxyacetamide (CID 16614219) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-naphthalen-2-yloxyacetamide is CCCCN(C(=O)COc1ccc2ccccc2c1)c1c(N)n(CCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-naphthalen-2-yloxyacetamide?
The InChIKey is JIOMOSXQWXGPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-3-5-13-26(20-21(24)27(12-4-2)23(30)25-22(20)29)19(28)15-31-18-11-10-16-8-6-7-9-17(16)14-18/h6-11,14H,3-5,12-13,15,24H2,1-2H3,(H,25,29,30).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-naphthalen-2-yloxyacetamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-naphthalen-2-yloxyacetamide has a molecular weight of 424.50 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 16614219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).