N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide

C12H15N3O2 — CID 110666665

IUPACN-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCCNC2=O)cc1
InChIInChI=1S/C12H15N3O2/c1-9(16)14-10-3-5-11(6-4-10)15-8-2-7-13-12(15)17/h3-6H,2,7-8H2,1H3,(H,13,17)(H,14,16)
InChIKeyUZARSNZCQITJNX-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.56
Rot. Bonds2

About N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide

N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide (PubChem CID 110666665) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
PubChem CID110666665
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCCNC2=O)cc1
InChIInChI=1S/C12H15N3O2/c1-9(16)14-10-3-5-11(6-4-10)15-8-2-7-13-12(15)17/h3-6H,2,7-8H2,1H3,(H,13,17)(H,14,16)
InChIKeyUZARSNZCQITJNX-UHFFFAOYSA-N
XLogP1.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]propanamide
CID 110666666
N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 79026340
4-tert-butyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
CID 110666699
1-(2,2-dimethylpropyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]urea
CID 110666800
3,4-dimethyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
CID 110666698
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]pyrazine-2-carboxamide
CID 110666649
2-(2-methoxyphenyl)-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 110666745
benzyl N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]carbamate
CID 110666721
3-bromo-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
CID 110666688
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 110666657
1-[4-(dimethylsulfamoylamino)phenyl]-2-oxo-1,3-diazinane
CID 110666756

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide?
The IUPAC name of N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide (CID 110666665) is N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide is CC(=O)Nc1ccc(N2CCCNC2=O)cc1.
What is the InChIKey of N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide?
The InChIKey is UZARSNZCQITJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9(16)14-10-3-5-11(6-4-10)15-8-2-7-13-12(15)17/h3-6H,2,7-8H2,1H3,(H,13,17)(H,14,16).
What are the key properties of N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide?
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide has a molecular weight of 233.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide is sourced from PubChem (CID 110666665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).