N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C21H27N5O5 — CID 24980220

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)Cn2c(=O)oc3ccccc32)c(=O)[nH]c1=O
InChIInChI=1S/C21H27N5O5/c1-4-5-10-24-18(22)17(19(28)23-20(24)29)26(11-13(2)3)16(27)12-25-14-8-6-7-9-15(14)31-21(25)30/h6-9,13H,4-5,10-12,22H2,1-3H3,(H,23,28,29)
InChIKeyGYXNRNALCNRLHB-UHFFFAOYSA-N
MW429.48 g/mol
LogP1.52
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 24980220) has the molecular formula C21H27N5O5 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID24980220
Molecular FormulaC21H27N5O5
Molecular Weight429.48 g/mol
Exact Mass429.20
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)Cn2c(=O)oc3ccccc32)c(=O)[nH]c1=O
InChIInChI=1S/C21H27N5O5/c1-4-5-10-24-18(22)17(19(28)23-20(24)29)26(11-13(2)3)16(27)12-25-14-8-6-7-9-15(14)31-21(25)30/h6-9,13H,4-5,10-12,22H2,1-3H3,(H,23,28,29)
InChIKeyGYXNRNALCNRLHB-UHFFFAOYSA-N
XLogP1.52
TPSA136.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 24980220) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is CCCCn1c(N)c(N(CC(C)C)C(=O)Cn2c(=O)oc3ccccc32)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is GYXNRNALCNRLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O5/c1-4-5-10-24-18(22)17(19(28)23-20(24)29)26(11-13(2)3)16(27)12-25-14-8-6-7-9-15(14)31-21(25)30/h6-9,13H,4-5,10-12,22H2,1-3H3,(H,23,28,29).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 429.48 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 24980220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).