2-[bis(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide

C15H24N4O — CID 110930238

IUPAC2-[bis(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide
SMILESCCNC(=NCC(=O)NCCc1ccccc1)NCC
InChIInChI=1S/C15H24N4O/c1-3-16-15(17-4-2)19-12-14(20)18-11-10-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,18,20)(H2,16,17,19)
InChIKeyWNONSFQTJSAAOK-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.92
Rot. Bonds7

About 2-[bis(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide

2-[bis(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide (PubChem CID 110930238) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[bis(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[bis(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide
PubChem CID110930238
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-[bis(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide
SMILESCCNC(=NCC(=O)NCCc1ccccc1)NCC
InChIInChI=1S/C15H24N4O/c1-3-16-15(17-4-2)19-12-14(20)18-11-10-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,18,20)(H2,16,17,19)
InChIKeyWNONSFQTJSAAOK-UHFFFAOYSA-N
XLogP0.92
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-[[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-(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-phenylpropylamino)methylidene]amino]-N-propylacetamide
CID 111199790
2-[[ethylamino-[(2-methyl-2-methylsulfanylpropyl)amino]methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111610337
2-[[(3-butoxypropylamino)-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111239439
2-[[ethylamino-[(3-hydroxy-2-phenylpropyl)amino]methylidene]amino]-N-(2-phenylethyl)acetamide
CID 109410353
2-[[[2-(2-butoxyethoxy)ethylamino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111693912
2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111713189
2-[[ethylamino-(2-phenylethylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111136345

Frequently Asked Questions

What is the IUPAC name of 2-[bis(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[bis(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide (CID 110930238) is 2-[bis(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[bis(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[bis(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide is CCNC(=NCC(=O)NCCc1ccccc1)NCC.
What is the InChIKey of 2-[bis(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide?
The InChIKey is WNONSFQTJSAAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-16-15(17-4-2)19-12-14(20)18-11-10-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,18,20)(H2,16,17,19).
What are the key properties of 2-[bis(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide?
2-[bis(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide has a molecular weight of 276.38 g/mol, XLogP of 0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 110930238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).