2-[butyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetamide

C15H24N4O — CID 133472820

IUPAC2-[butyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetamide
SMILESCCCCN(CC(N)=O)c1nc(C)nc2c1CCCC2
InChIInChI=1S/C15H24N4O/c1-3-4-9-19(10-14(16)20)15-12-7-5-6-8-13(12)17-11(2)18-15/h3-10H2,1-2H3,(H2,16,20)
InChIKeyYBBRRUUJLSUATE-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.76
Rot. Bonds6

About 2-[butyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetamide

2-[butyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetamide (PubChem CID 133472820) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[butyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetamide.

Molecular Properties

Compound Name2-[butyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetamide
PubChem CID133472820
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-[butyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetamide
SMILESCCCCN(CC(N)=O)c1nc(C)nc2c1CCCC2
InChIInChI=1S/C15H24N4O/c1-3-4-9-19(10-14(16)20)15-12-7-5-6-8-13(12)17-11(2)18-15/h3-10H2,1-2H3,(H2,16,20)
InChIKeyYBBRRUUJLSUATE-UHFFFAOYSA-N
XLogP1.76
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetamide?
The IUPAC name of 2-[butyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetamide (CID 133472820) is 2-[butyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetamide.
What is the SMILES notation for 2-[butyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetamide?
The canonical SMILES for 2-[butyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetamide is CCCCN(CC(N)=O)c1nc(C)nc2c1CCCC2.
What is the InChIKey of 2-[butyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetamide?
The InChIKey is YBBRRUUJLSUATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-4-9-19(10-14(16)20)15-12-7-5-6-8-13(12)17-11(2)18-15/h3-10H2,1-2H3,(H2,16,20).
What are the key properties of 2-[butyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetamide?
2-[butyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetamide has a molecular weight of 276.38 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetamide is sourced from PubChem (CID 133472820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).