N-(2-phenylethyl)diazinane-1-carboxamide

C13H19N3O — CID 69213478

IUPACN-(2-phenylethyl)diazinane-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCCCN1
InChIInChI=1S/C13H19N3O/c17-13(16-11-5-4-9-15-16)14-10-8-12-6-2-1-3-7-12/h1-3,6-7,15H,4-5,8-11H2,(H,14,17)
InChIKeyHYIOSDNAWUBEPR-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.54
Rot. Bonds3

About N-(2-phenylethyl)diazinane-1-carboxamide

N-(2-phenylethyl)diazinane-1-carboxamide (PubChem CID 69213478) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(2-phenylethyl)diazinane-1-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)diazinane-1-carboxamide
PubChem CID69213478
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-(2-phenylethyl)diazinane-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCCCN1
InChIInChI=1S/C13H19N3O/c17-13(16-11-5-4-9-15-16)14-10-8-12-6-2-1-3-7-12/h1-3,6-7,15H,4-5,8-11H2,(H,14,17)
InChIKeyHYIOSDNAWUBEPR-UHFFFAOYSA-N
XLogP1.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenylpropyl diazinane-1-carboxylate
CID 71377936
(8aR,12aS)-8-oxo-N-(2-phenylethyl)-2,3,4,5,6,7,8a,9,10,11,12,12a-dodecahydrobenzo[b][1,5]diazecine-1-carboxamide
CID 110201311
(1S,11R)-10-oxo-N-(2-phenylethyl)-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
CID 110199330
2-(1,4-diazepan-1-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 43145090
2-oxo-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 12884396
4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 23819080
N-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113108912
(2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28509967
3-(4-fluorophenyl)-N-(2-phenylethyl)azepane-1-carboxamide
CID 86263909
N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylpropanamide
CID 110342521
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
4-(4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N-(2-phenylethyl)piperidine-1-carboxamide
CID 53165364

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)diazinane-1-carboxamide?
The IUPAC name of N-(2-phenylethyl)diazinane-1-carboxamide (CID 69213478) is N-(2-phenylethyl)diazinane-1-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)diazinane-1-carboxamide?
The canonical SMILES for N-(2-phenylethyl)diazinane-1-carboxamide is O=C(NCCc1ccccc1)N1CCCCN1.
What is the InChIKey of N-(2-phenylethyl)diazinane-1-carboxamide?
The InChIKey is HYIOSDNAWUBEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-13(16-11-5-4-9-15-16)14-10-8-12-6-2-1-3-7-12/h1-3,6-7,15H,4-5,8-11H2,(H,14,17).
What are the key properties of N-(2-phenylethyl)diazinane-1-carboxamide?
N-(2-phenylethyl)diazinane-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)diazinane-1-carboxamide is sourced from PubChem (CID 69213478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).