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

C12H15N3O2 — CID 79026340

IUPACN-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CCCNC2=O)c1
InChIInChI=1S/C12H15N3O2/c1-9(16)14-10-4-2-5-11(8-10)15-7-3-6-13-12(15)17/h2,4-5,8H,3,6-7H2,1H3,(H,13,17)(H,14,16)
InChIKeyTZJSKGRITIFGHI-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.56
Rot. Bonds2

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

N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide (PubChem CID 79026340) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
PubChem CID79026340
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CCCNC2=O)c1
InChIInChI=1S/C12H15N3O2/c1-9(16)14-10-4-2-5-11(8-10)15-7-3-6-13-12(15)17/h2,4-5,8H,3,6-7H2,1H3,(H,13,17)(H,14,16)
InChIKeyTZJSKGRITIFGHI-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-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 110666665
1-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclopropane-1-carboxamide
CID 119809530
(2R)-2-methoxy-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-phenylacetamide
CID 124607892
2-methoxy-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-phenylacetamide
CID 122160047
2-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]pentanamide;hydrochloride
CID 119338335
N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119809570
2-bromo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 107903731
N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 75423273
3-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119809541
5-(4-fluorophenyl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-carboxamide
CID 99811761
2-amino-2-(oxan-4-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 120795442

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide?
The IUPAC name of N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide (CID 79026340) is N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide is CC(=O)Nc1cccc(N2CCCNC2=O)c1.
What is the InChIKey of N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide?
The InChIKey is TZJSKGRITIFGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9(16)14-10-4-2-5-11(8-10)15-7-3-6-13-12(15)17/h2,4-5,8H,3,6-7H2,1H3,(H,13,17)(H,14,16).
What are the key properties of N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide?
N-[3-(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-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide is sourced from PubChem (CID 79026340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).