2-(4-methyl-7-oxo-1,4-diazepan-1-yl)acetamide

C8H15N3O2 — CID 143241112

IUPAC2-(4-methyl-7-oxo-1,4-diazepan-1-yl)acetamide
SMILESCN1CCC(=O)N(CC(N)=O)CC1
InChIInChI=1S/C8H15N3O2/c1-10-3-2-8(13)11(5-4-10)6-7(9)12/h2-6H2,1H3,(H2,9,12)
InChIKeyLXPHLYPZQCHFIK-UHFFFAOYSA-N
MW185.23 g/mol
LogP-1.36
Rot. Bonds2

About 2-(4-methyl-7-oxo-1,4-diazepan-1-yl)acetamide

2-(4-methyl-7-oxo-1,4-diazepan-1-yl)acetamide (PubChem CID 143241112) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-(4-methyl-7-oxo-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-7-oxo-1,4-diazepan-1-yl)acetamide
PubChem CID143241112
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name2-(4-methyl-7-oxo-1,4-diazepan-1-yl)acetamide
SMILESCN1CCC(=O)N(CC(N)=O)CC1
InChIInChI=1S/C8H15N3O2/c1-10-3-2-8(13)11(5-4-10)6-7(9)12/h2-6H2,1H3,(H2,9,12)
InChIKeyLXPHLYPZQCHFIK-UHFFFAOYSA-N
XLogP-1.36
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-7-oxo-1,4-diazepan-1-yl)acetamide?
The IUPAC name of 2-(4-methyl-7-oxo-1,4-diazepan-1-yl)acetamide (CID 143241112) is 2-(4-methyl-7-oxo-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for 2-(4-methyl-7-oxo-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for 2-(4-methyl-7-oxo-1,4-diazepan-1-yl)acetamide is CN1CCC(=O)N(CC(N)=O)CC1.
What is the InChIKey of 2-(4-methyl-7-oxo-1,4-diazepan-1-yl)acetamide?
The InChIKey is LXPHLYPZQCHFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-10-3-2-8(13)11(5-4-10)6-7(9)12/h2-6H2,1H3,(H2,9,12).
What are the key properties of 2-(4-methyl-7-oxo-1,4-diazepan-1-yl)acetamide?
2-(4-methyl-7-oxo-1,4-diazepan-1-yl)acetamide has a molecular weight of 185.23 g/mol, XLogP of -1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-7-oxo-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 143241112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).