1-[3-[2-(1-phenylethyl)hydrazinyl]propoxymethyl]-1,3-diazinane-2,4-dione

C16H24N4O3 — CID 142360260

IUPAC1-[3-[2-(1-phenylethyl)hydrazinyl]propoxymethyl]-1,3-diazinane-2,4-dione
SMILESCC(NNCCCOCN1CCC(=O)NC1=O)c1ccccc1
InChIInChI=1S/C16H24N4O3/c1-13(14-6-3-2-4-7-14)19-17-9-5-11-23-12-20-10-8-15(21)18-16(20)22/h2-4,6-7,13,17,19H,5,8-12H2,1H3,(H,18,21,22)
InChIKeyVVOWEUFTEOEBGM-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.15
Rot. Bonds9

About 1-[3-[2-(1-phenylethyl)hydrazinyl]propoxymethyl]-1,3-diazinane-2,4-dione

1-[3-[2-(1-phenylethyl)hydrazinyl]propoxymethyl]-1,3-diazinane-2,4-dione (PubChem CID 142360260) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[3-[2-(1-phenylethyl)hydrazinyl]propoxymethyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[3-[2-(1-phenylethyl)hydrazinyl]propoxymethyl]-1,3-diazinane-2,4-dione
PubChem CID142360260
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name1-[3-[2-(1-phenylethyl)hydrazinyl]propoxymethyl]-1,3-diazinane-2,4-dione
SMILESCC(NNCCCOCN1CCC(=O)NC1=O)c1ccccc1
InChIInChI=1S/C16H24N4O3/c1-13(14-6-3-2-4-7-14)19-17-9-5-11-23-12-20-10-8-15(21)18-16(20)22/h2-4,6-7,13,17,19H,5,8-12H2,1H3,(H,18,21,22)
InChIKeyVVOWEUFTEOEBGM-UHFFFAOYSA-N
XLogP1.15
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(1-phenylethyl)hydrazinyl]propoxymethyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[3-[2-(1-phenylethyl)hydrazinyl]propoxymethyl]-1,3-diazinane-2,4-dione (CID 142360260) is 1-[3-[2-(1-phenylethyl)hydrazinyl]propoxymethyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[3-[2-(1-phenylethyl)hydrazinyl]propoxymethyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[3-[2-(1-phenylethyl)hydrazinyl]propoxymethyl]-1,3-diazinane-2,4-dione is CC(NNCCCOCN1CCC(=O)NC1=O)c1ccccc1.
What is the InChIKey of 1-[3-[2-(1-phenylethyl)hydrazinyl]propoxymethyl]-1,3-diazinane-2,4-dione?
The InChIKey is VVOWEUFTEOEBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-13(14-6-3-2-4-7-14)19-17-9-5-11-23-12-20-10-8-15(21)18-16(20)22/h2-4,6-7,13,17,19H,5,8-12H2,1H3,(H,18,21,22).
What are the key properties of 1-[3-[2-(1-phenylethyl)hydrazinyl]propoxymethyl]-1,3-diazinane-2,4-dione?
1-[3-[2-(1-phenylethyl)hydrazinyl]propoxymethyl]-1,3-diazinane-2,4-dione has a molecular weight of 320.39 g/mol, XLogP of 1.15, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(1-phenylethyl)hydrazinyl]propoxymethyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 142360260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).