N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(3-methylbutyl)acetamide

C21H36N4O3 — CID 24686522

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(3-methylbutyl)acetamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)CC2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C21H36N4O3/c1-4-5-12-25-19(22)18(20(27)23-21(25)28)24(13-11-15(2)3)17(26)14-16-9-7-6-8-10-16/h15-16H,4-14,22H2,1-3H3,(H,23,27,28)
InChIKeyIWYVUGJNHQPDED-UHFFFAOYSA-N
MW392.54 g/mol
LogP3.27
Rot. Bonds9

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(3-methylbutyl)acetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(3-methylbutyl)acetamide (PubChem CID 24686522) has the molecular formula C21H36N4O3 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(3-methylbutyl)acetamide
PubChem CID24686522
Molecular FormulaC21H36N4O3
Molecular Weight392.54 g/mol
Exact Mass392.28
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(3-methylbutyl)acetamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)CC2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C21H36N4O3/c1-4-5-12-25-19(22)18(20(27)23-21(25)28)24(13-11-15(2)3)17(26)14-16-9-7-6-8-10-16/h15-16H,4-14,22H2,1-3H3,(H,23,27,28)
InChIKeyIWYVUGJNHQPDED-UHFFFAOYSA-N
XLogP3.27
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 53.27
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)-2-cyclohexyl-N-(3-methylbutyl)acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(3-methylbutyl)acetamide (CID 24686522) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(3-methylbutyl)acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(3-methylbutyl)acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(3-methylbutyl)acetamide is CCCCn1c(N)c(N(CCC(C)C)C(=O)CC2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(3-methylbutyl)acetamide?
The InChIKey is IWYVUGJNHQPDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O3/c1-4-5-12-25-19(22)18(20(27)23-21(25)28)24(13-11-15(2)3)17(26)14-16-9-7-6-8-10-16/h15-16H,4-14,22H2,1-3H3,(H,23,27,28).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(3-methylbutyl)acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(3-methylbutyl)acetamide has a molecular weight of 392.54 g/mol, XLogP of 3.27, 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)-2-cyclohexyl-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 24686522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).