N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-cyclohexylacetamide

C20H34N4O3 — CID 24687398

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-cyclohexylacetamide
SMILESCCCCN(C(=O)CC1CCCCC1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C20H34N4O3/c1-3-5-12-23(16(25)14-15-10-8-7-9-11-15)17-18(21)24(13-6-4-2)20(27)22-19(17)26/h15H,3-14,21H2,1-2H3,(H,22,26,27)
InChIKeyVISVKQQUQBUTOC-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.02
Rot. Bonds9

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-cyclohexylacetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-cyclohexylacetamide (PubChem CID 24687398) has the molecular formula C20H34N4O3 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-cyclohexylacetamide
PubChem CID24687398
Molecular FormulaC20H34N4O3
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-cyclohexylacetamide
SMILESCCCCN(C(=O)CC1CCCCC1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C20H34N4O3/c1-3-5-12-23(16(25)14-15-10-8-7-9-11-15)17-18(21)24(13-6-4-2)20(27)22-19(17)26/h15H,3-14,21H2,1-2H3,(H,22,26,27)
InChIKeyVISVKQQUQBUTOC-UHFFFAOYSA-N
XLogP3.02
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-cyclohexylacetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-cyclohexylacetamide (CID 24687398) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-cyclohexylacetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-cyclohexylacetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-cyclohexylacetamide is CCCCN(C(=O)CC1CCCCC1)c1c(N)n(CCCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-cyclohexylacetamide?
The InChIKey is VISVKQQUQBUTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3/c1-3-5-12-23(16(25)14-15-10-8-7-9-11-15)17-18(21)24(13-6-4-2)20(27)22-19(17)26/h15H,3-14,21H2,1-2H3,(H,22,26,27).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-cyclohexylacetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-cyclohexylacetamide has a molecular weight of 378.52 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-cyclohexylacetamide is sourced from PubChem (CID 24687398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).