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

C21H36N4O3 — CID 111693912

IUPAC2-[[[2-(2-butoxyethoxy)ethylamino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
SMILESCCCCOCCOCCN/C(=N/CC(=O)NCCc1ccccc1)NCC
InChIInChI=1S/C21H36N4O3/c1-3-5-14-27-16-17-28-15-13-24-21(22-4-2)25-18-20(26)23-12-11-19-9-7-6-8-10-19/h6-10H,3-5,11-18H2,1-2H3,(H,23,26)(H2,22,24,25)
InChIKeyUXODQGPWJUPTES-UHFFFAOYSA-N
MW392.54 g/mol
LogP1.73
Rot. Bonds15

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

2-[[[2-(2-butoxyethoxy)ethylamino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide (PubChem CID 111693912) has the molecular formula C21H36N4O3 and a molecular weight of 392.54 g/mol. Its IUPAC name is 2-[[[2-(2-butoxyethoxy)ethylamino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[[[2-(2-butoxyethoxy)ethylamino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
PubChem CID111693912
Molecular FormulaC21H36N4O3
Molecular Weight392.54 g/mol
Exact Mass392.28
IUPAC Name2-[[[2-(2-butoxyethoxy)ethylamino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
SMILESCCCCOCCOCCN/C(=N/CC(=O)NCCc1ccccc1)NCC
InChIInChI=1S/C21H36N4O3/c1-3-5-14-27-16-17-28-15-13-24-21(22-4-2)25-18-20(26)23-12-11-19-9-7-6-8-10-19/h6-10H,3-5,11-18H2,1-2H3,(H,23,26)(H2,22,24,25)
InChIKeyUXODQGPWJUPTES-UHFFFAOYSA-N
XLogP1.73
TPSA83.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[(3-butoxypropylamino)-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111239439
2-[bis(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide
CID 110930238
2-[[ethylamino-[2-(4-methoxyphenoxy)ethylamino]methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111410584
2-[[ethylamino-(3-phenylpropylamino)methylidene]amino]-N-propylacetamide
CID 111199790
2-[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111373339
1-ethyl-2-[2-(2-methoxyethoxy)ethyl]-3-(2-phenylethyl)guanidine
CID 111135487
2-[[ethylamino-[2-(2-fluorophenyl)ethylamino]methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111362450
2-[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111373338
2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111001469
2-[[ethylamino-(2-phenylethylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111136345
2-[[ethylamino-(2-phenylethylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111136344
2-[[[2-(2-butoxyethoxy)ethylamino]-(ethylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111693569

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(2-butoxyethoxy)ethylamino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[[[2-(2-butoxyethoxy)ethylamino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide (CID 111693912) is 2-[[[2-(2-butoxyethoxy)ethylamino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[[[2-(2-butoxyethoxy)ethylamino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[[[2-(2-butoxyethoxy)ethylamino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide is CCCCOCCOCCN/C(=N/CC(=O)NCCc1ccccc1)NCC.
What is the InChIKey of 2-[[[2-(2-butoxyethoxy)ethylamino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide?
The InChIKey is UXODQGPWJUPTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O3/c1-3-5-14-27-16-17-28-15-13-24-21(22-4-2)25-18-20(26)23-12-11-19-9-7-6-8-10-19/h6-10H,3-5,11-18H2,1-2H3,(H,23,26)(H2,22,24,25).
What are the key properties of 2-[[[2-(2-butoxyethoxy)ethylamino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide?
2-[[[2-(2-butoxyethoxy)ethylamino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide has a molecular weight of 392.54 g/mol, XLogP of 1.73, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(2-butoxyethoxy)ethylamino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 111693912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).