N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)cyclobutanecarboxamide

C20H26N4O4 — CID 8781296

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)cyclobutanecarboxamide
SMILESCOCCCN(C(=O)C1CCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H26N4O4/c1-28-12-6-11-23(19(26)15-9-5-10-15)16-17(21)24(20(27)22-18(16)25)13-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13,21H2,1H3,(H,22,25,27)
InChIKeySZGZXXUYKKYHLZ-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.34
Rot. Bonds8

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)cyclobutanecarboxamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)cyclobutanecarboxamide (PubChem CID 8781296) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)cyclobutanecarboxamide
PubChem CID8781296
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)cyclobutanecarboxamide
SMILESCOCCCN(C(=O)C1CCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H26N4O4/c1-28-12-6-11-23(19(26)15-9-5-10-15)16-17(21)24(20(27)22-18(16)25)13-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13,21H2,1H3,(H,22,25,27)
InChIKeySZGZXXUYKKYHLZ-UHFFFAOYSA-N
XLogP1.34
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)cyclobutanecarboxamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)cyclobutanecarboxamide (CID 8781296) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)cyclobutanecarboxamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)cyclobutanecarboxamide is COCCCN(C(=O)C1CCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)cyclobutanecarboxamide?
The InChIKey is SZGZXXUYKKYHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-28-12-6-11-23(19(26)15-9-5-10-15)16-17(21)24(20(27)22-18(16)25)13-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13,21H2,1H3,(H,22,25,27).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)cyclobutanecarboxamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)cyclobutanecarboxamide has a molecular weight of 386.45 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)cyclobutanecarboxamide is sourced from PubChem (CID 8781296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).