1-cyclohexyl-5-[C-methyl-N-(3-morpholin-4-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione

C19H30N4O4 — CID 7461546

IUPAC1-cyclohexyl-5-[C-methyl-N-(3-morpholin-4-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
SMILESC/C(=N\CCCN1CCOCC1)C1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C19H30N4O4/c1-14(20-8-5-9-22-10-12-27-13-11-22)16-17(24)21-19(26)23(18(16)25)15-6-3-2-4-7-15/h15-16H,2-13H2,1H3,(H,21,24,26)/b20-14+
InChIKeySEZHPARGJXUNCN-XSFVSMFZSA-N
MW378.47 g/mol
LogP1.20
Rot. Bonds6

About 1-cyclohexyl-5-[C-methyl-N-(3-morpholin-4-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione

1-cyclohexyl-5-[C-methyl-N-(3-morpholin-4-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione (PubChem CID 7461546) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-cyclohexyl-5-[C-methyl-N-(3-morpholin-4-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cyclohexyl-5-[C-methyl-N-(3-morpholin-4-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
PubChem CID7461546
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Name1-cyclohexyl-5-[C-methyl-N-(3-morpholin-4-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
SMILESC/C(=N\CCCN1CCOCC1)C1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C19H30N4O4/c1-14(20-8-5-9-22-10-12-27-13-11-22)16-17(24)21-19(26)23(18(16)25)15-6-3-2-4-7-15/h15-16H,2-13H2,1H3,(H,21,24,26)/b20-14+
InChIKeySEZHPARGJXUNCN-XSFVSMFZSA-N
XLogP1.20
TPSA91.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[C-methyl-N-(3-morpholin-4-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-cyclohexyl-5-[C-methyl-N-(3-morpholin-4-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione (CID 7461546) is 1-cyclohexyl-5-[C-methyl-N-(3-morpholin-4-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-cyclohexyl-5-[C-methyl-N-(3-morpholin-4-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-cyclohexyl-5-[C-methyl-N-(3-morpholin-4-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione is C/C(=N\CCCN1CCOCC1)C1C(=O)NC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-5-[C-methyl-N-(3-morpholin-4-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is SEZHPARGJXUNCN-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-14(20-8-5-9-22-10-12-27-13-11-22)16-17(24)21-19(26)23(18(16)25)15-6-3-2-4-7-15/h15-16H,2-13H2,1H3,(H,21,24,26)/b20-14+.
What are the key properties of 1-cyclohexyl-5-[C-methyl-N-(3-morpholin-4-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
1-cyclohexyl-5-[C-methyl-N-(3-morpholin-4-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 378.47 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[C-methyl-N-(3-morpholin-4-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7461546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).