N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide

C20H25N3O — CID 111799880

IUPACN'-(2,3-diphenylpropyl)morpholine-4-carboximidamide
SMILESN/C(=N\CC(Cc1ccccc1)c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H25N3O/c21-20(23-11-13-24-14-12-23)22-16-19(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H2,21,22)
InChIKeyNFWYJZNZLDTGDK-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.66
Rot. Bonds5

About N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide

N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide (PubChem CID 111799880) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(2,3-diphenylpropyl)morpholine-4-carboximidamide
PubChem CID111799880
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN'-(2,3-diphenylpropyl)morpholine-4-carboximidamide
SMILESN/C(=N\CC(Cc1ccccc1)c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H25N3O/c21-20(23-11-13-24-14-12-23)22-16-19(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H2,21,22)
InChIKeyNFWYJZNZLDTGDK-UHFFFAOYSA-N
XLogP2.66
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.66
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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Related Compounds

N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 111799879
N'-(3-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide
CID 111799996
N'-(2-phenoxypropyl)morpholine-4-carboximidamide
CID 111801506
N'-(2-phenylsulfanylethyl)morpholine-4-carboximidamide
CID 111033052
N'-[[4-(phenylmethoxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111053620
N'-(3-benzylsulfonylpropyl)morpholine-4-carboximidamide
CID 111065176
N'-[2-ethyl-2-(1-phenylethylamino)butyl]morpholine-4-carboximidamide;hydroiodide
CID 111810353
N'-[(3-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide
CID 111047716
N'-(3-methyl-2-pyridin-3-ylbutyl)morpholine-4-carboximidamide
CID 111911290
N'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111031155
N'-[2-hydroxy-2-(4-methylphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111067391
N'-[2-(benzenesulfonyl)ethyl]morpholine-4-carboximidamide
CID 111065084

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide?
The IUPAC name of N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide (CID 111799880) is N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide.
What is the SMILES notation for N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide?
The canonical SMILES for N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide is N/C(=N\CC(Cc1ccccc1)c1ccccc1)N1CCOCC1.
What is the InChIKey of N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide?
The InChIKey is NFWYJZNZLDTGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c21-20(23-11-13-24-14-12-23)22-16-19(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H2,21,22).
What are the key properties of N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide?
N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide has a molecular weight of 323.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide is sourced from PubChem (CID 111799880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).