N-[3-(5,5-dimethyl-2-oxo-1,3-diazinan-1-yl)propyl]acetamide

C11H21N3O2 — CID 18340126

IUPACN-[3-(5,5-dimethyl-2-oxo-1,3-diazinan-1-yl)propyl]acetamide
SMILESCC(=O)NCCCN1CC(C)(C)CNC1=O
InChIInChI=1S/C11H21N3O2/c1-9(15)12-5-4-6-14-8-11(2,3)7-13-10(14)16/h4-8H2,1-3H3,(H,12,15)(H,13,16)
InChIKeyQRQFJDKLYMZJRF-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.56
Rot. Bonds4

About N-[3-(5,5-dimethyl-2-oxo-1,3-diazinan-1-yl)propyl]acetamide

N-[3-(5,5-dimethyl-2-oxo-1,3-diazinan-1-yl)propyl]acetamide (PubChem CID 18340126) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[3-(5,5-dimethyl-2-oxo-1,3-diazinan-1-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(5,5-dimethyl-2-oxo-1,3-diazinan-1-yl)propyl]acetamide
PubChem CID18340126
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-[3-(5,5-dimethyl-2-oxo-1,3-diazinan-1-yl)propyl]acetamide
SMILESCC(=O)NCCCN1CC(C)(C)CNC1=O
InChIInChI=1S/C11H21N3O2/c1-9(15)12-5-4-6-14-8-11(2,3)7-13-10(14)16/h4-8H2,1-3H3,(H,12,15)(H,13,16)
InChIKeyQRQFJDKLYMZJRF-UHFFFAOYSA-N
XLogP0.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[3-(5,5-dimethyl-2-oxo-1,3-diazinan-1-yl)propyl]acetamide?
The IUPAC name of N-[3-(5,5-dimethyl-2-oxo-1,3-diazinan-1-yl)propyl]acetamide (CID 18340126) is N-[3-(5,5-dimethyl-2-oxo-1,3-diazinan-1-yl)propyl]acetamide.
What is the SMILES notation for N-[3-(5,5-dimethyl-2-oxo-1,3-diazinan-1-yl)propyl]acetamide?
The canonical SMILES for N-[3-(5,5-dimethyl-2-oxo-1,3-diazinan-1-yl)propyl]acetamide is CC(=O)NCCCN1CC(C)(C)CNC1=O.
What is the InChIKey of N-[3-(5,5-dimethyl-2-oxo-1,3-diazinan-1-yl)propyl]acetamide?
The InChIKey is QRQFJDKLYMZJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-9(15)12-5-4-6-14-8-11(2,3)7-13-10(14)16/h4-8H2,1-3H3,(H,12,15)(H,13,16).
What are the key properties of N-[3-(5,5-dimethyl-2-oxo-1,3-diazinan-1-yl)propyl]acetamide?
N-[3-(5,5-dimethyl-2-oxo-1,3-diazinan-1-yl)propyl]acetamide has a molecular weight of 227.31 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,5-dimethyl-2-oxo-1,3-diazinan-1-yl)propyl]acetamide is sourced from PubChem (CID 18340126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).