N-ethyl-2-(2-oxo-1,4-diazepan-1-yl)acetamide

C9H17N3O2 — CID 65362324

IUPACN-ethyl-2-(2-oxo-1,4-diazepan-1-yl)acetamide
SMILESCCNC(=O)CN1CCCNCC1=O
InChIInChI=1S/C9H17N3O2/c1-2-11-8(13)7-12-5-3-4-10-6-9(12)14/h10H,2-7H2,1H3,(H,11,13)
InChIKeyDPYKZFFIECVUQL-UHFFFAOYSA-N
MW199.25 g/mol
LogP-1.06
Rot. Bonds3

About N-ethyl-2-(2-oxo-1,4-diazepan-1-yl)acetamide

N-ethyl-2-(2-oxo-1,4-diazepan-1-yl)acetamide (PubChem CID 65362324) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-ethyl-2-(2-oxo-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(2-oxo-1,4-diazepan-1-yl)acetamide
PubChem CID65362324
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN-ethyl-2-(2-oxo-1,4-diazepan-1-yl)acetamide
SMILESCCNC(=O)CN1CCCNCC1=O
InChIInChI=1S/C9H17N3O2/c1-2-11-8(13)7-12-5-3-4-10-6-9(12)14/h10H,2-7H2,1H3,(H,11,13)
InChIKeyDPYKZFFIECVUQL-UHFFFAOYSA-N
XLogP-1.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-oxo-1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-ethyl-2-(2-oxo-1,4-diazepan-1-yl)acetamide (CID 65362324) is N-ethyl-2-(2-oxo-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(2-oxo-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-ethyl-2-(2-oxo-1,4-diazepan-1-yl)acetamide is CCNC(=O)CN1CCCNCC1=O.
What is the InChIKey of N-ethyl-2-(2-oxo-1,4-diazepan-1-yl)acetamide?
The InChIKey is DPYKZFFIECVUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-2-11-8(13)7-12-5-3-4-10-6-9(12)14/h10H,2-7H2,1H3,(H,11,13).
What are the key properties of N-ethyl-2-(2-oxo-1,4-diazepan-1-yl)acetamide?
N-ethyl-2-(2-oxo-1,4-diazepan-1-yl)acetamide has a molecular weight of 199.25 g/mol, XLogP of -1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-oxo-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 65362324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).