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

C20H25N5O5 — CID 18209179

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCCCCn1c(N)c(N(CC)C(=O)CN2C(=O)COc3ccccc32)c(=O)[nH]c1=O
InChIInChI=1S/C20H25N5O5/c1-3-5-10-24-18(21)17(19(28)22-20(24)29)23(4-2)15(26)11-25-13-8-6-7-9-14(13)30-12-16(25)27/h6-9H,3-5,10-12,21H2,1-2H3,(H,22,28,29)
InChIKeyFSOUNWLGZFAULF-UHFFFAOYSA-N
MW415.45 g/mol
LogP0.70
Rot. Bonds7

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 18209179) has the molecular formula C20H25N5O5 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID18209179
Molecular FormulaC20H25N5O5
Molecular Weight415.45 g/mol
Exact Mass415.19
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCCCCn1c(N)c(N(CC)C(=O)CN2C(=O)COc3ccccc32)c(=O)[nH]c1=O
InChIInChI=1S/C20H25N5O5/c1-3-5-10-24-18(21)17(19(28)22-20(24)29)23(4-2)15(26)11-25-13-8-6-7-9-14(13)30-12-16(25)27/h6-9H,3-5,10-12,21H2,1-2H3,(H,22,28,29)
InChIKeyFSOUNWLGZFAULF-UHFFFAOYSA-N
XLogP0.70
TPSA130.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 18209179) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is CCCCn1c(N)c(N(CC)C(=O)CN2C(=O)COc3ccccc32)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is FSOUNWLGZFAULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O5/c1-3-5-10-24-18(21)17(19(28)22-20(24)29)23(4-2)15(26)11-25-13-8-6-7-9-14(13)30-12-16(25)27/h6-9H,3-5,10-12,21H2,1-2H3,(H,22,28,29).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 415.45 g/mol, XLogP of 0.70, 7 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)-N-ethyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 18209179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).