1-[5-[2-(1-phenylethyl)hydrazinyl]pentyl]-1,3-diazinane-2,4-dione

C17H26N4O2 — CID 142360603

IUPAC1-[5-[2-(1-phenylethyl)hydrazinyl]pentyl]-1,3-diazinane-2,4-dione
SMILESCC(NNCCCCCN1CCC(=O)NC1=O)c1ccccc1
InChIInChI=1S/C17H26N4O2/c1-14(15-8-4-2-5-9-15)20-18-11-6-3-7-12-21-13-10-16(22)19-17(21)23/h2,4-5,8-9,14,18,20H,3,6-7,10-13H2,1H3,(H,19,22,23)
InChIKeyUKRLILDLKAAFKS-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.95
Rot. Bonds9

About 1-[5-[2-(1-phenylethyl)hydrazinyl]pentyl]-1,3-diazinane-2,4-dione

1-[5-[2-(1-phenylethyl)hydrazinyl]pentyl]-1,3-diazinane-2,4-dione (PubChem CID 142360603) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[5-[2-(1-phenylethyl)hydrazinyl]pentyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[5-[2-(1-phenylethyl)hydrazinyl]pentyl]-1,3-diazinane-2,4-dione
PubChem CID142360603
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-[5-[2-(1-phenylethyl)hydrazinyl]pentyl]-1,3-diazinane-2,4-dione
SMILESCC(NNCCCCCN1CCC(=O)NC1=O)c1ccccc1
InChIInChI=1S/C17H26N4O2/c1-14(15-8-4-2-5-9-15)20-18-11-6-3-7-12-21-13-10-16(22)19-17(21)23/h2,4-5,8-9,14,18,20H,3,6-7,10-13H2,1H3,(H,19,22,23)
InChIKeyUKRLILDLKAAFKS-UHFFFAOYSA-N
XLogP1.95
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[5-[2-(1-phenylethyl)hydrazinyl]pentyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[5-[2-(1-phenylethyl)hydrazinyl]pentyl]-1,3-diazinane-2,4-dione (CID 142360603) is 1-[5-[2-(1-phenylethyl)hydrazinyl]pentyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[5-[2-(1-phenylethyl)hydrazinyl]pentyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[5-[2-(1-phenylethyl)hydrazinyl]pentyl]-1,3-diazinane-2,4-dione is CC(NNCCCCCN1CCC(=O)NC1=O)c1ccccc1.
What is the InChIKey of 1-[5-[2-(1-phenylethyl)hydrazinyl]pentyl]-1,3-diazinane-2,4-dione?
The InChIKey is UKRLILDLKAAFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-14(15-8-4-2-5-9-15)20-18-11-6-3-7-12-21-13-10-16(22)19-17(21)23/h2,4-5,8-9,14,18,20H,3,6-7,10-13H2,1H3,(H,19,22,23).
What are the key properties of 1-[5-[2-(1-phenylethyl)hydrazinyl]pentyl]-1,3-diazinane-2,4-dione?
1-[5-[2-(1-phenylethyl)hydrazinyl]pentyl]-1,3-diazinane-2,4-dione has a molecular weight of 318.42 g/mol, XLogP of 1.95, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(1-phenylethyl)hydrazinyl]pentyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 142360603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).