2-[[ethylamino-[(3-hydroxy-2-phenylpropyl)amino]methylidene]amino]-N-(2-phenylethyl)acetamide

C22H30N4O2 — CID 109410353

IUPAC2-[[ethylamino-[(3-hydroxy-2-phenylpropyl)amino]methylidene]amino]-N-(2-phenylethyl)acetamide
SMILESCCN/C(=N\CC(=O)NCCc1ccccc1)NCC(CO)c1ccccc1
InChIInChI=1S/C22H30N4O2/c1-2-23-22(25-15-20(17-27)19-11-7-4-8-12-19)26-16-21(28)24-14-13-18-9-5-3-6-10-18/h3-12,20,27H,2,13-17H2,1H3,(H,24,28)(H2,23,25,26)
InChIKeyGUMLWGBNPWQVBH-UHFFFAOYSA-N
MW382.51 g/mol
LogP1.68
Rot. Bonds10

About 2-[[ethylamino-[(3-hydroxy-2-phenylpropyl)amino]methylidene]amino]-N-(2-phenylethyl)acetamide

2-[[ethylamino-[(3-hydroxy-2-phenylpropyl)amino]methylidene]amino]-N-(2-phenylethyl)acetamide (PubChem CID 109410353) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[[ethylamino-[(3-hydroxy-2-phenylpropyl)amino]methylidene]amino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[[ethylamino-[(3-hydroxy-2-phenylpropyl)amino]methylidene]amino]-N-(2-phenylethyl)acetamide
PubChem CID109410353
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name2-[[ethylamino-[(3-hydroxy-2-phenylpropyl)amino]methylidene]amino]-N-(2-phenylethyl)acetamide
SMILESCCN/C(=N\CC(=O)NCCc1ccccc1)NCC(CO)c1ccccc1
InChIInChI=1S/C22H30N4O2/c1-2-23-22(25-15-20(17-27)19-11-7-4-8-12-19)26-16-21(28)24-14-13-18-9-5-3-6-10-18/h3-12,20,27H,2,13-17H2,1H3,(H,24,28)(H2,23,25,26)
InChIKeyGUMLWGBNPWQVBH-UHFFFAOYSA-N
XLogP1.68
TPSA85.75 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 51.68
H-Bond Donors ≤ 54
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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Related Compounds

2-[bis(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide
CID 110930238
2-[[ethylamino-(2-ethylbutylamino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111890978
2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111713189
2-[[ethylamino-(2-thiophen-3-ylpropylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111704629
2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111001469
2-[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111373339
2-[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111373338
1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine
CID 109408961
2-[[ethylamino-[2-(2-methoxyphenoxy)propylamino]methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111683360
2-[[ethylamino-[(3-methyl-1-benzofuran-2-yl)methylamino]methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111603099
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(3-phenylpropyl)guanidine
CID 109410705
2-[[ethylamino-[2-(2-fluorophenyl)ethylamino]methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111362450

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[(3-hydroxy-2-phenylpropyl)amino]methylidene]amino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[[ethylamino-[(3-hydroxy-2-phenylpropyl)amino]methylidene]amino]-N-(2-phenylethyl)acetamide (CID 109410353) is 2-[[ethylamino-[(3-hydroxy-2-phenylpropyl)amino]methylidene]amino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[[ethylamino-[(3-hydroxy-2-phenylpropyl)amino]methylidene]amino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[[ethylamino-[(3-hydroxy-2-phenylpropyl)amino]methylidene]amino]-N-(2-phenylethyl)acetamide is CCN/C(=N\CC(=O)NCCc1ccccc1)NCC(CO)c1ccccc1.
What is the InChIKey of 2-[[ethylamino-[(3-hydroxy-2-phenylpropyl)amino]methylidene]amino]-N-(2-phenylethyl)acetamide?
The InChIKey is GUMLWGBNPWQVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-2-23-22(25-15-20(17-27)19-11-7-4-8-12-19)26-16-21(28)24-14-13-18-9-5-3-6-10-18/h3-12,20,27H,2,13-17H2,1H3,(H,24,28)(H2,23,25,26).
What are the key properties of 2-[[ethylamino-[(3-hydroxy-2-phenylpropyl)amino]methylidene]amino]-N-(2-phenylethyl)acetamide?
2-[[ethylamino-[(3-hydroxy-2-phenylpropyl)amino]methylidene]amino]-N-(2-phenylethyl)acetamide has a molecular weight of 382.51 g/mol, XLogP of 1.68, 10 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[(3-hydroxy-2-phenylpropyl)amino]methylidene]amino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 109410353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).