2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]-N-(2-phenylethyl)acetamide

C20H34N4O2 — CID 111713189

IUPAC2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]-N-(2-phenylethyl)acetamide
SMILESCCCC(CCO)CN/C(=N/CC(=O)NCCc1ccccc1)NCC
InChIInChI=1S/C20H34N4O2/c1-3-8-18(12-14-25)15-23-20(21-4-2)24-16-19(26)22-13-11-17-9-6-5-7-10-17/h5-7,9-10,18,25H,3-4,8,11-16H2,1-2H3,(H,22,26)(H2,21,23,24)
InChIKeyKMXQGGOGVJVCGH-UHFFFAOYSA-N
MW362.52 g/mol
LogP1.70
Rot. Bonds12

About 2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]-N-(2-phenylethyl)acetamide

2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]-N-(2-phenylethyl)acetamide (PubChem CID 111713189) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]-N-(2-phenylethyl)acetamide
PubChem CID111713189
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]-N-(2-phenylethyl)acetamide
SMILESCCCC(CCO)CN/C(=N/CC(=O)NCCc1ccccc1)NCC
InChIInChI=1S/C20H34N4O2/c1-3-8-18(12-14-25)15-23-20(21-4-2)24-16-19(26)22-13-11-17-9-6-5-7-10-17/h5-7,9-10,18,25H,3-4,8,11-16H2,1-2H3,(H,22,26)(H2,21,23,24)
InChIKeyKMXQGGOGVJVCGH-UHFFFAOYSA-N
XLogP1.70
TPSA85.75 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 51.70
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-[[ethylamino-(2-ethylbutylamino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111890978
2-[bis(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide
CID 110930238
2-[[ethylamino-[(3-hydroxy-2-phenylpropyl)amino]methylidene]amino]-N-(2-phenylethyl)acetamide
CID 109410353
N-[2-(2-hydroxyethyl)pentyl]-3-phenylpropanamide
CID 103722786
2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111001469
N-tert-butyl-2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]acetamide;hydroiodide
CID 111711984
2-[[ethylamino-(3-phenylpropylamino)methylidene]amino]-N-propylacetamide
CID 111199790
2-[[ethylamino-(2-thiophen-3-ylpropylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111704629
2-[[ethylamino-[2-(2-methoxyphenoxy)propylamino]methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111683360
N-(5-bromo-2-methylphenyl)-2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]acetamide;hydroiodide
CID 111713186
2-[[(3-butoxypropylamino)-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111239439
2-[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111373339

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]-N-(2-phenylethyl)acetamide (CID 111713189) is 2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]-N-(2-phenylethyl)acetamide is CCCC(CCO)CN/C(=N/CC(=O)NCCc1ccccc1)NCC.
What is the InChIKey of 2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]-N-(2-phenylethyl)acetamide?
The InChIKey is KMXQGGOGVJVCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-3-8-18(12-14-25)15-23-20(21-4-2)24-16-19(26)22-13-11-17-9-6-5-7-10-17/h5-7,9-10,18,25H,3-4,8,11-16H2,1-2H3,(H,22,26)(H2,21,23,24).
What are the key properties of 2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]-N-(2-phenylethyl)acetamide?
2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]-N-(2-phenylethyl)acetamide has a molecular weight of 362.52 g/mol, XLogP of 1.70, 12 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 111713189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).