N'-[3-(diethylamino)-2-hydroxypropoxy]-3,3-diphenylpropanimidamide

C22H31N3O2 — CID 54464856

IUPACN'-[3-(diethylamino)-2-hydroxypropoxy]-3,3-diphenylpropanimidamide
SMILESCCN(CC)CC(O)CON=C(N)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31N3O2/c1-3-25(4-2)16-20(26)17-27-24-22(23)15-21(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20-21,26H,3-4,15-17H2,1-2H3,(H2,23,24)
InChIKeyXECUMDLGABZLBS-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.20
Rot. Bonds11

About N'-[3-(diethylamino)-2-hydroxypropoxy]-3,3-diphenylpropanimidamide

N'-[3-(diethylamino)-2-hydroxypropoxy]-3,3-diphenylpropanimidamide (PubChem CID 54464856) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N'-[3-(diethylamino)-2-hydroxypropoxy]-3,3-diphenylpropanimidamide.

Molecular Properties

Compound NameN'-[3-(diethylamino)-2-hydroxypropoxy]-3,3-diphenylpropanimidamide
PubChem CID54464856
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN'-[3-(diethylamino)-2-hydroxypropoxy]-3,3-diphenylpropanimidamide
SMILESCCN(CC)CC(O)CON=C(N)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31N3O2/c1-3-25(4-2)16-20(26)17-27-24-22(23)15-21(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20-21,26H,3-4,15-17H2,1-2H3,(H2,23,24)
InChIKeyXECUMDLGABZLBS-UHFFFAOYSA-N
XLogP3.20
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(diethylamino)-2-hydroxypropoxy]-3,3-diphenylpropanimidamide?
The IUPAC name of N'-[3-(diethylamino)-2-hydroxypropoxy]-3,3-diphenylpropanimidamide (CID 54464856) is N'-[3-(diethylamino)-2-hydroxypropoxy]-3,3-diphenylpropanimidamide.
What is the SMILES notation for N'-[3-(diethylamino)-2-hydroxypropoxy]-3,3-diphenylpropanimidamide?
The canonical SMILES for N'-[3-(diethylamino)-2-hydroxypropoxy]-3,3-diphenylpropanimidamide is CCN(CC)CC(O)CON=C(N)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[3-(diethylamino)-2-hydroxypropoxy]-3,3-diphenylpropanimidamide?
The InChIKey is XECUMDLGABZLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-3-25(4-2)16-20(26)17-27-24-22(23)15-21(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20-21,26H,3-4,15-17H2,1-2H3,(H2,23,24).
What are the key properties of N'-[3-(diethylamino)-2-hydroxypropoxy]-3,3-diphenylpropanimidamide?
N'-[3-(diethylamino)-2-hydroxypropoxy]-3,3-diphenylpropanimidamide has a molecular weight of 369.51 g/mol, XLogP of 3.20, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(diethylamino)-2-hydroxypropoxy]-3,3-diphenylpropanimidamide is sourced from PubChem (CID 54464856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).