N-tert-butyl-2-[[ethylamino-[3-(oxan-4-yloxy)propylamino]methylidene]amino]acetamide

C17H34N4O3 — CID 111667194

IUPACN-tert-butyl-2-[[ethylamino-[3-(oxan-4-yloxy)propylamino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCCCOC1CCOCC1
InChIInChI=1S/C17H34N4O3/c1-5-18-16(20-13-15(22)21-17(2,3)4)19-9-6-10-24-14-7-11-23-12-8-14/h14H,5-13H2,1-4H3,(H,21,22)(H2,18,19,20)
InChIKeyMFGFLHIYKQFMCM-UHFFFAOYSA-N
MW342.48 g/mol
LogP1.04
Rot. Bonds8

About N-tert-butyl-2-[[ethylamino-[3-(oxan-4-yloxy)propylamino]methylidene]amino]acetamide

N-tert-butyl-2-[[ethylamino-[3-(oxan-4-yloxy)propylamino]methylidene]amino]acetamide (PubChem CID 111667194) has the molecular formula C17H34N4O3 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-tert-butyl-2-[[ethylamino-[3-(oxan-4-yloxy)propylamino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[ethylamino-[3-(oxan-4-yloxy)propylamino]methylidene]amino]acetamide
PubChem CID111667194
Molecular FormulaC17H34N4O3
Molecular Weight342.48 g/mol
Exact Mass342.26
IUPAC NameN-tert-butyl-2-[[ethylamino-[3-(oxan-4-yloxy)propylamino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCCCOC1CCOCC1
InChIInChI=1S/C17H34N4O3/c1-5-18-16(20-13-15(22)21-17(2,3)4)19-9-6-10-24-14-7-11-23-12-8-14/h14H,5-13H2,1-4H3,(H,21,22)(H2,18,19,20)
InChIKeyMFGFLHIYKQFMCM-UHFFFAOYSA-N
XLogP1.04
TPSA83.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 51.04
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

N-tert-butyl-2-[[(4-cycloheptyloxybutylamino)-(ethylamino)methylidene]amino]acetamide
CID 111767793
tert-butyl N-[3-[[ethylamino-[3-(oxan-4-yloxy)propylamino]methylidene]amino]propyl]carbamate
CID 111667758
2-[[(3-cyclohexyloxypropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide
CID 111398237
2-[[(3-cyclohexyloxypropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111398236
N-tert-butyl-2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide
CID 110972315
N-tert-butyl-2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 110972314
1-ethyl-2-(2-ethylbutyl)-3-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide
CID 111988720
N-tert-butyl-2-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111382741
N-tert-butyl-2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111187528
N-tert-butyl-2-[[ethylamino(propylamino)methylidene]amino]acetamide
CID 111226095
tert-butyl 7-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]amino]heptanoate;hydroiodide
CID 111831685
N-tert-butyl-2-[[ethylamino-[3-(furan-2-ylmethoxy)propylamino]methylidene]amino]acetamide;hydroiodide
CID 111385631

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[ethylamino-[3-(oxan-4-yloxy)propylamino]methylidene]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[ethylamino-[3-(oxan-4-yloxy)propylamino]methylidene]amino]acetamide (CID 111667194) is N-tert-butyl-2-[[ethylamino-[3-(oxan-4-yloxy)propylamino]methylidene]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[ethylamino-[3-(oxan-4-yloxy)propylamino]methylidene]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[ethylamino-[3-(oxan-4-yloxy)propylamino]methylidene]amino]acetamide is CCN/C(=N\CC(=O)NC(C)(C)C)NCCCOC1CCOCC1.
What is the InChIKey of N-tert-butyl-2-[[ethylamino-[3-(oxan-4-yloxy)propylamino]methylidene]amino]acetamide?
The InChIKey is MFGFLHIYKQFMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O3/c1-5-18-16(20-13-15(22)21-17(2,3)4)19-9-6-10-24-14-7-11-23-12-8-14/h14H,5-13H2,1-4H3,(H,21,22)(H2,18,19,20).
What are the key properties of N-tert-butyl-2-[[ethylamino-[3-(oxan-4-yloxy)propylamino]methylidene]amino]acetamide?
N-tert-butyl-2-[[ethylamino-[3-(oxan-4-yloxy)propylamino]methylidene]amino]acetamide has a molecular weight of 342.48 g/mol, XLogP of 1.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[ethylamino-[3-(oxan-4-yloxy)propylamino]methylidene]amino]acetamide is sourced from PubChem (CID 111667194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).