N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-tert-butylphenoxy)-N-(2-methoxyethyl)propanamide

C24H36N4O5 — CID 55360222

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-tert-butylphenoxy)-N-(2-methoxyethyl)propanamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)C(C)Oc2ccc(C(C)(C)C)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H36N4O5/c1-7-8-13-28-20(25)19(21(29)26-23(28)31)27(14-15-32-6)22(30)16(2)33-18-11-9-17(10-12-18)24(3,4)5/h9-12,16H,7-8,13-15,25H2,1-6H3,(H,26,29,31)
InChIKeyKCPLKXMKNZQKCY-UHFFFAOYSA-N
MW460.58 g/mol
LogP2.66
Rot. Bonds10

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-tert-butylphenoxy)-N-(2-methoxyethyl)propanamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-tert-butylphenoxy)-N-(2-methoxyethyl)propanamide (PubChem CID 55360222) has the molecular formula C24H36N4O5 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-tert-butylphenoxy)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-tert-butylphenoxy)-N-(2-methoxyethyl)propanamide
PubChem CID55360222
Molecular FormulaC24H36N4O5
Molecular Weight460.58 g/mol
Exact Mass460.27
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-tert-butylphenoxy)-N-(2-methoxyethyl)propanamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)C(C)Oc2ccc(C(C)(C)C)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H36N4O5/c1-7-8-13-28-20(25)19(21(29)26-23(28)31)27(14-15-32-6)22(30)16(2)33-18-11-9-17(10-12-18)24(3,4)5/h9-12,16H,7-8,13-15,25H2,1-6H3,(H,26,29,31)
InChIKeyKCPLKXMKNZQKCY-UHFFFAOYSA-N
XLogP2.66
TPSA119.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-tert-butylphenoxy)-N-(2-methoxyethyl)propanamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-tert-butylphenoxy)-N-(2-methoxyethyl)propanamide (CID 55360222) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-tert-butylphenoxy)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-tert-butylphenoxy)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-tert-butylphenoxy)-N-(2-methoxyethyl)propanamide is CCCCn1c(N)c(N(CCOC)C(=O)C(C)Oc2ccc(C(C)(C)C)cc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-tert-butylphenoxy)-N-(2-methoxyethyl)propanamide?
The InChIKey is KCPLKXMKNZQKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O5/c1-7-8-13-28-20(25)19(21(29)26-23(28)31)27(14-15-32-6)22(30)16(2)33-18-11-9-17(10-12-18)24(3,4)5/h9-12,16H,7-8,13-15,25H2,1-6H3,(H,26,29,31).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-tert-butylphenoxy)-N-(2-methoxyethyl)propanamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-tert-butylphenoxy)-N-(2-methoxyethyl)propanamide has a molecular weight of 460.58 g/mol, XLogP of 2.66, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-tert-butylphenoxy)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 55360222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).