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

C13H17N3O2 — CID 110666666

IUPACN-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCCNC2=O)cc1
InChIInChI=1S/C13H17N3O2/c1-2-12(17)15-10-4-6-11(7-5-10)16-9-3-8-14-13(16)18/h4-7H,2-3,8-9H2,1H3,(H,14,18)(H,15,17)
InChIKeyOKLMWYCEHARIBH-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.95
Rot. Bonds3

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

N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]propanamide (PubChem CID 110666666) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]propanamide
PubChem CID110666666
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCCNC2=O)cc1
InChIInChI=1S/C13H17N3O2/c1-2-12(17)15-10-4-6-11(7-5-10)16-9-3-8-14-13(16)18/h4-7H,2-3,8-9H2,1H3,(H,14,18)(H,15,17)
InChIKeyOKLMWYCEHARIBH-UHFFFAOYSA-N
XLogP1.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 110666665
2-(2-methoxyphenyl)-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 110666745
1-(2,2-dimethylpropyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]urea
CID 110666800
2-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 43709823
4-tert-butyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
CID 110666699
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-phenoxybutanamide
CID 110666646
3,4-dimethyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
CID 110666698
N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 99170180
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
1-ethyl-1-methyl-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 78917136
(2S)-2-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide;hydrochloride
CID 119276073

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]propanamide?
The IUPAC name of N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]propanamide (CID 110666666) is N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]propanamide.
What is the SMILES notation for N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]propanamide?
The canonical SMILES for N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]propanamide is CCC(=O)Nc1ccc(N2CCCNC2=O)cc1.
What is the InChIKey of N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]propanamide?
The InChIKey is OKLMWYCEHARIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-12(17)15-10-4-6-11(7-5-10)16-9-3-8-14-13(16)18/h4-7H,2-3,8-9H2,1H3,(H,14,18)(H,15,17).
What are the key properties of N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]propanamide?
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]propanamide has a molecular weight of 247.30 g/mol, XLogP of 1.95, 3 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]propanamide is sourced from PubChem (CID 110666666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).