N'-[3-(diethylamino)-2-hydroxypropoxy]-2-phenylethanimidamide

C15H25N3O2 — CID 73178765

IUPACN'-[3-(diethylamino)-2-hydroxypropoxy]-2-phenylethanimidamide
SMILESCCN(CC)CC(O)CON=C(N)Cc1ccccc1
InChIInChI=1S/C15H25N3O2/c1-3-18(4-2)11-14(19)12-20-17-15(16)10-13-8-6-5-7-9-13/h5-9,14,19H,3-4,10-12H2,1-2H3,(H2,16,17)
InChIKeyYNVLAQHOQPKEFK-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.22
Rot. Bonds9

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

N'-[3-(diethylamino)-2-hydroxypropoxy]-2-phenylethanimidamide (PubChem CID 73178765) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N'-[3-(diethylamino)-2-hydroxypropoxy]-2-phenylethanimidamide.

Molecular Properties

Compound NameN'-[3-(diethylamino)-2-hydroxypropoxy]-2-phenylethanimidamide
PubChem CID73178765
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN'-[3-(diethylamino)-2-hydroxypropoxy]-2-phenylethanimidamide
SMILESCCN(CC)CC(O)CON=C(N)Cc1ccccc1
InChIInChI=1S/C15H25N3O2/c1-3-18(4-2)11-14(19)12-20-17-15(16)10-13-8-6-5-7-9-13/h5-9,14,19H,3-4,10-12H2,1-2H3,(H2,16,17)
InChIKeyYNVLAQHOQPKEFK-UHFFFAOYSA-N
XLogP1.22
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.22
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]-2-phenylethanimidamide?
The IUPAC name of N'-[3-(diethylamino)-2-hydroxypropoxy]-2-phenylethanimidamide (CID 73178765) is N'-[3-(diethylamino)-2-hydroxypropoxy]-2-phenylethanimidamide.
What is the SMILES notation for N'-[3-(diethylamino)-2-hydroxypropoxy]-2-phenylethanimidamide?
The canonical SMILES for N'-[3-(diethylamino)-2-hydroxypropoxy]-2-phenylethanimidamide is CCN(CC)CC(O)CON=C(N)Cc1ccccc1.
What is the InChIKey of N'-[3-(diethylamino)-2-hydroxypropoxy]-2-phenylethanimidamide?
The InChIKey is YNVLAQHOQPKEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-18(4-2)11-14(19)12-20-17-15(16)10-13-8-6-5-7-9-13/h5-9,14,19H,3-4,10-12H2,1-2H3,(H2,16,17).
What are the key properties of N'-[3-(diethylamino)-2-hydroxypropoxy]-2-phenylethanimidamide?
N'-[3-(diethylamino)-2-hydroxypropoxy]-2-phenylethanimidamide has a molecular weight of 279.38 g/mol, XLogP of 1.22, 9 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]-2-phenylethanimidamide is sourced from PubChem (CID 73178765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).