N'-(N-tert-butyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide

C17H26N4O — CID 10402677

IUPACN'-(N-tert-butyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
SMILESCC(/N=C(/Nc1ccccc1)N1CCOCC1)=N\C(C)(C)C
InChIInChI=1S/C17H26N4O/c1-14(20-17(2,3)4)18-16(21-10-12-22-13-11-21)19-15-8-6-5-7-9-15/h5-9H,10-13H2,1-4H3,(H,18,19,20)
InChIKeyFGQLWRJWZNGNLQ-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.00
Rot. Bonds1

About N'-(N-tert-butyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide

N'-(N-tert-butyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide (PubChem CID 10402677) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N'-(N-tert-butyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(N-tert-butyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
PubChem CID10402677
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN'-(N-tert-butyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
SMILESCC(/N=C(/Nc1ccccc1)N1CCOCC1)=N\C(C)(C)C
InChIInChI=1S/C17H26N4O/c1-14(20-17(2,3)4)18-16(21-10-12-22-13-11-21)19-15-8-6-5-7-9-15/h5-9H,10-13H2,1-4H3,(H,18,19,20)
InChIKeyFGQLWRJWZNGNLQ-UHFFFAOYSA-N
XLogP3.00
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(N-tert-butyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide?
The IUPAC name of N'-(N-tert-butyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide (CID 10402677) is N'-(N-tert-butyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-(N-tert-butyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide?
The canonical SMILES for N'-(N-tert-butyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide is CC(/N=C(/Nc1ccccc1)N1CCOCC1)=N\C(C)(C)C.
What is the InChIKey of N'-(N-tert-butyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide?
The InChIKey is FGQLWRJWZNGNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-14(20-17(2,3)4)18-16(21-10-12-22-13-11-21)19-15-8-6-5-7-9-15/h5-9H,10-13H2,1-4H3,(H,18,19,20).
What are the key properties of N'-(N-tert-butyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide?
N'-(N-tert-butyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide has a molecular weight of 302.42 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N-tert-butyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide is sourced from PubChem (CID 10402677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).