4-methyl-N-phenyl-2-phenylimino-1,3-oxazinane-3-carboxamide

C18H19N3O2 — CID 14709279

IUPAC4-methyl-N-phenyl-2-phenylimino-1,3-oxazinane-3-carboxamide
SMILESCC1CCO/C(=N\c2ccccc2)N1C(=O)Nc1ccccc1
InChIInChI=1S/C18H19N3O2/c1-14-12-13-23-18(20-16-10-6-3-7-11-16)21(14)17(22)19-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,19,22)/b20-18-
InChIKeyQGWULBCYGGOTAF-ZZEZOPTASA-N
MW309.37 g/mol
LogP4.02
Rot. Bonds2

About 4-methyl-N-phenyl-2-phenylimino-1,3-oxazinane-3-carboxamide

4-methyl-N-phenyl-2-phenylimino-1,3-oxazinane-3-carboxamide (PubChem CID 14709279) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-methyl-N-phenyl-2-phenylimino-1,3-oxazinane-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-phenyl-2-phenylimino-1,3-oxazinane-3-carboxamide
PubChem CID14709279
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name4-methyl-N-phenyl-2-phenylimino-1,3-oxazinane-3-carboxamide
SMILESCC1CCO/C(=N\c2ccccc2)N1C(=O)Nc1ccccc1
InChIInChI=1S/C18H19N3O2/c1-14-12-13-23-18(20-16-10-6-3-7-11-16)21(14)17(22)19-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,19,22)/b20-18-
InChIKeyQGWULBCYGGOTAF-ZZEZOPTASA-N
XLogP4.02
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-phenyl-2-phenylimino-1,3-oxazinane-3-carboxamide?
The IUPAC name of 4-methyl-N-phenyl-2-phenylimino-1,3-oxazinane-3-carboxamide (CID 14709279) is 4-methyl-N-phenyl-2-phenylimino-1,3-oxazinane-3-carboxamide.
What is the SMILES notation for 4-methyl-N-phenyl-2-phenylimino-1,3-oxazinane-3-carboxamide?
The canonical SMILES for 4-methyl-N-phenyl-2-phenylimino-1,3-oxazinane-3-carboxamide is CC1CCO/C(=N\c2ccccc2)N1C(=O)Nc1ccccc1.
What is the InChIKey of 4-methyl-N-phenyl-2-phenylimino-1,3-oxazinane-3-carboxamide?
The InChIKey is QGWULBCYGGOTAF-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H19N3O2/c1-14-12-13-23-18(20-16-10-6-3-7-11-16)21(14)17(22)19-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,19,22)/b20-18-.
What are the key properties of 4-methyl-N-phenyl-2-phenylimino-1,3-oxazinane-3-carboxamide?
4-methyl-N-phenyl-2-phenylimino-1,3-oxazinane-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-phenyl-2-phenylimino-1,3-oxazinane-3-carboxamide is sourced from PubChem (CID 14709279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).