2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-(4-hydroxyphenyl)acetamide

C20H32N4O2 — CID 109490632

IUPAC2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
SMILESCCCC1(C)CCCN(/C(=N/CC(=O)Nc2ccc(O)cc2)NCC)C1
InChIInChI=1S/C20H32N4O2/c1-4-11-20(3)12-6-13-24(15-20)19(21-5-2)22-14-18(26)23-16-7-9-17(25)10-8-16/h7-10,25H,4-6,11-15H2,1-3H3,(H,21,22)(H,23,26)
InChIKeyHQZSMOMXWNZPJV-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.20
Rot. Bonds6

About 2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-(4-hydroxyphenyl)acetamide

2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-(4-hydroxyphenyl)acetamide (PubChem CID 109490632) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
PubChem CID109490632
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
SMILESCCCC1(C)CCCN(/C(=N/CC(=O)Nc2ccc(O)cc2)NCC)C1
InChIInChI=1S/C20H32N4O2/c1-4-11-20(3)12-6-13-24(15-20)19(21-5-2)22-14-18(26)23-16-7-9-17(25)10-8-16/h7-10,25H,4-6,11-15H2,1-3H3,(H,21,22)(H,23,26)
InChIKeyHQZSMOMXWNZPJV-UHFFFAOYSA-N
XLogP3.20
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 109490735
2-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide
CID 111738976
N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490392
2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 110961223
N-ethyl-3-methyl-N'-[4-(2-oxo-1-pyridinyl)butyl]-3-propylpiperidine-1-carboximidamide
CID 109490099
N-ethyl-N'-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide
CID 109490488
2-[[ethylamino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111165300
N-ethyl-3-methyl-3-propyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide
CID 109490782
2-[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111148586
2-[[ethylamino-[4-(3-methylphenyl)piperazin-1-yl]methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 111421421
3-[2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]ethyl]-N-methylbenzamide
CID 109490910
N-ethyl-N'-[[2-(methanesulfonamido)phenyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490437

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-(4-hydroxyphenyl)acetamide?
The IUPAC name of 2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-(4-hydroxyphenyl)acetamide (CID 109490632) is 2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-(4-hydroxyphenyl)acetamide?
The canonical SMILES for 2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-(4-hydroxyphenyl)acetamide is CCCC1(C)CCCN(/C(=N/CC(=O)Nc2ccc(O)cc2)NCC)C1.
What is the InChIKey of 2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-(4-hydroxyphenyl)acetamide?
The InChIKey is HQZSMOMXWNZPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-4-11-20(3)12-6-13-24(15-20)19(21-5-2)22-14-18(26)23-16-7-9-17(25)10-8-16/h7-10,25H,4-6,11-15H2,1-3H3,(H,21,22)(H,23,26).
What are the key properties of 2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-(4-hydroxyphenyl)acetamide?
2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-(4-hydroxyphenyl)acetamide has a molecular weight of 360.50 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 109490632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).