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

C20H25N5O6 — CID 24687170

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)Cn2c(=O)oc3ccccc32)c(=O)[nH]c1=O
InChIInChI=1S/C20H25N5O6/c1-3-4-9-24-17(21)16(18(27)22-19(24)28)23(10-11-30-2)15(26)12-25-13-7-5-6-8-14(13)31-20(25)29/h5-8H,3-4,9-12,21H2,1-2H3,(H,22,27,28)
InChIKeyVRTSUKMJZQNAGY-UHFFFAOYSA-N
MW431.45 g/mol
LogP0.51
Rot. Bonds9

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 24687170) has the molecular formula C20H25N5O6 and a molecular weight of 431.45 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID24687170
Molecular FormulaC20H25N5O6
Molecular Weight431.45 g/mol
Exact Mass431.18
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)Cn2c(=O)oc3ccccc32)c(=O)[nH]c1=O
InChIInChI=1S/C20H25N5O6/c1-3-4-9-24-17(21)16(18(27)22-19(24)28)23(10-11-30-2)15(26)12-25-13-7-5-6-8-14(13)31-20(25)29/h5-8H,3-4,9-12,21H2,1-2H3,(H,22,27,28)
InChIKeyVRTSUKMJZQNAGY-UHFFFAOYSA-N
XLogP0.51
TPSA145.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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-methoxyethyl)-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-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 24687170) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-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-methoxyethyl)-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-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is CCCCn1c(N)c(N(CCOC)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-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is VRTSUKMJZQNAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O6/c1-3-4-9-24-17(21)16(18(27)22-19(24)28)23(10-11-30-2)15(26)12-25-13-7-5-6-8-14(13)31-20(25)29/h5-8H,3-4,9-12,21H2,1-2H3,(H,22,27,28).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 431.45 g/mol, XLogP of 0.51, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 24687170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).