2-[4-[2-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]phenoxy]acetamide

C20H32N4O2 — CID 111154430

IUPAC2-[4-[2-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]phenoxy]acetamide
SMILESCCN/C(=N\CCc1ccc(OCC(N)=O)cc1)N1CC(C)CC(C)C1
InChIInChI=1S/C20H32N4O2/c1-4-22-20(24-12-15(2)11-16(3)13-24)23-10-9-17-5-7-18(8-6-17)26-14-19(21)25/h5-8,15-16H,4,9-14H2,1-3H3,(H2,21,25)(H,22,23)
InChIKeyXGVRBFNXDHSVRG-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.04
Rot. Bonds7

About 2-[4-[2-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]phenoxy]acetamide

2-[4-[2-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]phenoxy]acetamide (PubChem CID 111154430) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-[4-[2-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[2-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]phenoxy]acetamide
PubChem CID111154430
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name2-[4-[2-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]phenoxy]acetamide
SMILESCCN/C(=N\CCc1ccc(OCC(N)=O)cc1)N1CC(C)CC(C)C1
InChIInChI=1S/C20H32N4O2/c1-4-22-20(24-12-15(2)11-16(3)13-24)23-10-9-17-5-7-18(8-6-17)26-14-19(21)25/h5-8,15-16H,4,9-14H2,1-3H3,(H2,21,25)(H,22,23)
InChIKeyXGVRBFNXDHSVRG-UHFFFAOYSA-N
XLogP2.04
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.04
H-Bond Donors ≤ 52
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

N-[4-[2-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]phenyl]acetamide
CID 111154696
2-[4-[2-[[ethylamino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]ethyl]phenoxy]acetamide
CID 111165818
2-[4-[2-[[2-azaspiro[4.5]decan-2-yl(ethylamino)methylidene]amino]ethyl]phenoxy]acetamide
CID 111744343
2-[4-[2-[[(2,2-dimethylthiomorpholin-4-yl)-(ethylamino)methylidene]amino]ethyl]phenoxy]acetamide;hydroiodide
CID 109488527
2-[4-[2-[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]ethyl]phenoxy]acetamide
CID 111149100
N-cyclopropyl-2-[4-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]phenoxy]acetamide
CID 111211707
4-acetyl-N-ethyl-N'-[2-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboximidamide
CID 110962871
ethyl 1-[N'-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-N-ethylcarbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110995048
ethyl 4-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]butanoate
CID 111154581
N-ethyl-N'-[2-(4-methoxyphenyl)ethyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109444055
2-[4-[2-[[N-ethyl-N'-(4-methylpentyl)carbamimidoyl]amino]ethyl]phenoxy]acetamide
CID 111942437
N-cyclopropyl-2-[4-[2-[[ethylamino-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methylidene]amino]ethyl]phenoxy]acetamide
CID 111748450

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[2-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]phenoxy]acetamide (CID 111154430) is 2-[4-[2-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[2-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[2-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]phenoxy]acetamide is CCN/C(=N\CCc1ccc(OCC(N)=O)cc1)N1CC(C)CC(C)C1.
What is the InChIKey of 2-[4-[2-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]phenoxy]acetamide?
The InChIKey is XGVRBFNXDHSVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-4-22-20(24-12-15(2)11-16(3)13-24)23-10-9-17-5-7-18(8-6-17)26-14-19(21)25/h5-8,15-16H,4,9-14H2,1-3H3,(H2,21,25)(H,22,23).
What are the key properties of 2-[4-[2-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]phenoxy]acetamide?
2-[4-[2-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]phenoxy]acetamide has a molecular weight of 360.50 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]phenoxy]acetamide is sourced from PubChem (CID 111154430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).