N-tert-butyl-2-[[ethylamino-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methylidene]amino]acetamide

C14H26N6O2 — CID 111384789

IUPACN-tert-butyl-2-[[ethylamino-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCCc1nc(C)no1
InChIInChI=1S/C14H26N6O2/c1-6-15-13(17-9-11(21)19-14(3,4)5)16-8-7-12-18-10(2)20-22-12/h6-9H2,1-5H3,(H,19,21)(H2,15,16,17)
InChIKeyAVQGASOHCCHGDB-UHFFFAOYSA-N
MW310.40 g/mol
LogP0.39
Rot. Bonds6

About N-tert-butyl-2-[[ethylamino-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methylidene]amino]acetamide

N-tert-butyl-2-[[ethylamino-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methylidene]amino]acetamide (PubChem CID 111384789) has the molecular formula C14H26N6O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-tert-butyl-2-[[ethylamino-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[ethylamino-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methylidene]amino]acetamide
PubChem CID111384789
Molecular FormulaC14H26N6O2
Molecular Weight310.40 g/mol
Exact Mass310.21
IUPAC NameN-tert-butyl-2-[[ethylamino-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCCc1nc(C)no1
InChIInChI=1S/C14H26N6O2/c1-6-15-13(17-9-11(21)19-14(3,4)5)16-8-7-12-18-10(2)20-22-12/h6-9H2,1-5H3,(H,19,21)(H2,15,16,17)
InChIKeyAVQGASOHCCHGDB-UHFFFAOYSA-N
XLogP0.39
TPSA104.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-tert-butyl-2-[[N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111382988
1-ethyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111930035
N-tert-butyl-2-[[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-(4-propan-2-yloxyanilino)methylidene]amino]acetamide;hydroiodide
CID 111866939
N-tert-butyl-2-[[ethylamino(propylamino)methylidene]amino]acetamide
CID 111226095
1-ethyl-2-(2-methoxyethyl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine;hydroiodide
CID 110940791
N-tert-butyl-2-[[ethylamino-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]acetamide
CID 111797374
N-tert-butyl-2-[[ethylamino-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111383925
1-ethyl-2-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 111654980
N-tert-butyl-2-[[ethylamino-(3-methylbutylamino)methylidene]amino]acetamide;hydroiodide
CID 110978288
1-[2-(4-tert-butylphenyl)ethyl]-3-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 111892319
tert-butyl N-[3-[[N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamimidoyl]amino]propyl]carbamate
CID 111886649
2-[[[2-(5-bromothiophen-2-yl)ethylamino]-(ethylamino)methylidene]amino]-N-tert-butylacetamide
CID 111384311

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[ethylamino-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methylidene]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[ethylamino-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methylidene]amino]acetamide (CID 111384789) is N-tert-butyl-2-[[ethylamino-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methylidene]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[ethylamino-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methylidene]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[ethylamino-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methylidene]amino]acetamide is CCN/C(=N\CC(=O)NC(C)(C)C)NCCc1nc(C)no1.
What is the InChIKey of N-tert-butyl-2-[[ethylamino-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methylidene]amino]acetamide?
The InChIKey is AVQGASOHCCHGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O2/c1-6-15-13(17-9-11(21)19-14(3,4)5)16-8-7-12-18-10(2)20-22-12/h6-9H2,1-5H3,(H,19,21)(H2,15,16,17).
What are the key properties of N-tert-butyl-2-[[ethylamino-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methylidene]amino]acetamide?
N-tert-butyl-2-[[ethylamino-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methylidene]amino]acetamide has a molecular weight of 310.40 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[ethylamino-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methylidene]amino]acetamide is sourced from PubChem (CID 111384789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).