N'-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-N-phenylmorpholine-4-carboximidamide

C15H22N4O2 — CID 10379471

IUPACN'-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-N-phenylmorpholine-4-carboximidamide
SMILESCC(/N=C(/Nc1ccccc1)N1CCOCC1)=N\CCO
InChIInChI=1S/C15H22N4O2/c1-13(16-7-10-20)17-15(19-8-11-21-12-9-19)18-14-5-3-2-4-6-14/h2-6,20H,7-12H2,1H3,(H,16,17,18)
InChIKeyDTIXENUVIJBLAC-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.20
Rot. Bonds3

About N'-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-N-phenylmorpholine-4-carboximidamide

N'-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-N-phenylmorpholine-4-carboximidamide (PubChem CID 10379471) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N'-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-N-phenylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-N-phenylmorpholine-4-carboximidamide
PubChem CID10379471
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN'-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-N-phenylmorpholine-4-carboximidamide
SMILESCC(/N=C(/Nc1ccccc1)N1CCOCC1)=N\CCO
InChIInChI=1S/C15H22N4O2/c1-13(16-7-10-20)17-15(19-8-11-21-12-9-19)18-14-5-3-2-4-6-14/h2-6,20H,7-12H2,1H3,(H,16,17,18)
InChIKeyDTIXENUVIJBLAC-UHFFFAOYSA-N
XLogP1.20
TPSA69.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-hydroxyethyl)-C-methylcarbonimidoyl]-N-phenylmorpholine-4-carboximidamide?
The IUPAC name of N'-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-N-phenylmorpholine-4-carboximidamide (CID 10379471) is N'-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-N-phenylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-N-phenylmorpholine-4-carboximidamide?
The canonical SMILES for N'-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-N-phenylmorpholine-4-carboximidamide is CC(/N=C(/Nc1ccccc1)N1CCOCC1)=N\CCO.
What is the InChIKey of N'-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-N-phenylmorpholine-4-carboximidamide?
The InChIKey is DTIXENUVIJBLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-13(16-7-10-20)17-15(19-8-11-21-12-9-19)18-14-5-3-2-4-6-14/h2-6,20H,7-12H2,1H3,(H,16,17,18).
What are the key properties of N'-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-N-phenylmorpholine-4-carboximidamide?
N'-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-N-phenylmorpholine-4-carboximidamide has a molecular weight of 290.37 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-N-phenylmorpholine-4-carboximidamide is sourced from PubChem (CID 10379471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).