N'-[C,N-di(propan-2-yl)carbonimidoyl]-N-phenylmorpholine-4-carboximidamide

C18H28N4O — CID 10471039

IUPACN'-[C,N-di(propan-2-yl)carbonimidoyl]-N-phenylmorpholine-4-carboximidamide
SMILESCC(C)/N=C(/N=C(/Nc1ccccc1)N1CCOCC1)C(C)C
InChIInChI=1S/C18H28N4O/c1-14(2)17(19-15(3)4)21-18(22-10-12-23-13-11-22)20-16-8-6-5-7-9-16/h5-9,14-15H,10-13H2,1-4H3,(H,19,20,21)
InChIKeyUZPROTOJSGZYOK-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.25
Rot. Bonds3

About N'-[C,N-di(propan-2-yl)carbonimidoyl]-N-phenylmorpholine-4-carboximidamide

N'-[C,N-di(propan-2-yl)carbonimidoyl]-N-phenylmorpholine-4-carboximidamide (PubChem CID 10471039) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N'-[C,N-di(propan-2-yl)carbonimidoyl]-N-phenylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[C,N-di(propan-2-yl)carbonimidoyl]-N-phenylmorpholine-4-carboximidamide
PubChem CID10471039
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN'-[C,N-di(propan-2-yl)carbonimidoyl]-N-phenylmorpholine-4-carboximidamide
SMILESCC(C)/N=C(/N=C(/Nc1ccccc1)N1CCOCC1)C(C)C
InChIInChI=1S/C18H28N4O/c1-14(2)17(19-15(3)4)21-18(22-10-12-23-13-11-22)20-16-8-6-5-7-9-16/h5-9,14-15H,10-13H2,1-4H3,(H,19,20,21)
InChIKeyUZPROTOJSGZYOK-UHFFFAOYSA-N
XLogP3.25
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.25
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'}

Analyze N'-[C,N-di(propan-2-yl)carbonimidoyl]-N-phenylmorpholine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[C,N-di(propan-2-yl)carbonimidoyl]-N-phenylmorpholine-4-carboximidamide?
The IUPAC name of N'-[C,N-di(propan-2-yl)carbonimidoyl]-N-phenylmorpholine-4-carboximidamide (CID 10471039) is N'-[C,N-di(propan-2-yl)carbonimidoyl]-N-phenylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-[C,N-di(propan-2-yl)carbonimidoyl]-N-phenylmorpholine-4-carboximidamide?
The canonical SMILES for N'-[C,N-di(propan-2-yl)carbonimidoyl]-N-phenylmorpholine-4-carboximidamide is CC(C)/N=C(/N=C(/Nc1ccccc1)N1CCOCC1)C(C)C.
What is the InChIKey of N'-[C,N-di(propan-2-yl)carbonimidoyl]-N-phenylmorpholine-4-carboximidamide?
The InChIKey is UZPROTOJSGZYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-14(2)17(19-15(3)4)21-18(22-10-12-23-13-11-22)20-16-8-6-5-7-9-16/h5-9,14-15H,10-13H2,1-4H3,(H,19,20,21).
What are the key properties of N'-[C,N-di(propan-2-yl)carbonimidoyl]-N-phenylmorpholine-4-carboximidamide?
N'-[C,N-di(propan-2-yl)carbonimidoyl]-N-phenylmorpholine-4-carboximidamide has a molecular weight of 316.45 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[C,N-di(propan-2-yl)carbonimidoyl]-N-phenylmorpholine-4-carboximidamide is sourced from PubChem (CID 10471039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).