1-[4-[1-(ethylamino)ethyl]phenyl]-1,3-diazinan-2-one

C14H21N3O — CID 65295315

IUPAC1-[4-[1-(ethylamino)ethyl]phenyl]-1,3-diazinan-2-one
SMILESCCNC(C)c1ccc(N2CCCNC2=O)cc1
InChIInChI=1S/C14H21N3O/c1-3-15-11(2)12-5-7-13(8-6-12)17-10-4-9-16-14(17)18/h5-8,11,15H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeySOINCSAWXUBEKG-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.28
Rot. Bonds4

About 1-[4-[1-(ethylamino)ethyl]phenyl]-1,3-diazinan-2-one

1-[4-[1-(ethylamino)ethyl]phenyl]-1,3-diazinan-2-one (PubChem CID 65295315) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[4-[1-(ethylamino)ethyl]phenyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[4-[1-(ethylamino)ethyl]phenyl]-1,3-diazinan-2-one
PubChem CID65295315
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[4-[1-(ethylamino)ethyl]phenyl]-1,3-diazinan-2-one
SMILESCCNC(C)c1ccc(N2CCCNC2=O)cc1
InChIInChI=1S/C14H21N3O/c1-3-15-11(2)12-5-7-13(8-6-12)17-10-4-9-16-14(17)18/h5-8,11,15H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeySOINCSAWXUBEKG-UHFFFAOYSA-N
XLogP2.28
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 43283918
1-[4-[1-(ethylamino)ethyl]phenyl]piperidine-2,6-dione
CID 43653773
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]propanamide
CID 110666666
1-(4-aminophenyl)-1,3-diazinan-2-one;hydrochloride
CID 69400856
1-[4-(bromomethyl)phenyl]-1,3-diazinan-2-one
CID 153379314
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 110666665
5-methyl-1-[1-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122123920
N-[1-[4-(2-oxoimidazolidin-1-yl)phenyl]ethyl]prop-2-enamide
CID 166408163
1-[2-[1-(ethylamino)ethyl]phenyl]imidazolidin-2-one
CID 65295461
1-(4-piperazin-1-ylphenyl)-1,3-diazinan-2-one
CID 82514207
2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanoic acid
CID 23154771
1-[4-[4-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone
CID 43284244

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(ethylamino)ethyl]phenyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[4-[1-(ethylamino)ethyl]phenyl]-1,3-diazinan-2-one (CID 65295315) is 1-[4-[1-(ethylamino)ethyl]phenyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[4-[1-(ethylamino)ethyl]phenyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[4-[1-(ethylamino)ethyl]phenyl]-1,3-diazinan-2-one is CCNC(C)c1ccc(N2CCCNC2=O)cc1.
What is the InChIKey of 1-[4-[1-(ethylamino)ethyl]phenyl]-1,3-diazinan-2-one?
The InChIKey is SOINCSAWXUBEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-15-11(2)12-5-7-13(8-6-12)17-10-4-9-16-14(17)18/h5-8,11,15H,3-4,9-10H2,1-2H3,(H,16,18).
What are the key properties of 1-[4-[1-(ethylamino)ethyl]phenyl]-1,3-diazinan-2-one?
1-[4-[1-(ethylamino)ethyl]phenyl]-1,3-diazinan-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(ethylamino)ethyl]phenyl]-1,3-diazinan-2-one is sourced from PubChem (CID 65295315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).