2-[[ethylamino-[[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide

C15H28N6O3 — CID 111656672

IUPAC2-[[ethylamino-[[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide
SMILESCCN/C(=N\CC(=O)NCCOC)NCC(C)(O)c1cnn(C)c1
InChIInChI=1S/C15H28N6O3/c1-5-16-14(18-9-13(22)17-6-7-24-4)19-11-15(2,23)12-8-20-21(3)10-12/h8,10,23H,5-7,9,11H2,1-4H3,(H,17,22)(H2,16,18,19)
InChIKeyZFJNCFISSSOATB-UHFFFAOYSA-N
MW340.43 g/mol
LogP-1.05
Rot. Bonds9

About 2-[[ethylamino-[[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide

2-[[ethylamino-[[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide (PubChem CID 111656672) has the molecular formula C15H28N6O3 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[[ethylamino-[[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[[ethylamino-[[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide
PubChem CID111656672
Molecular FormulaC15H28N6O3
Molecular Weight340.43 g/mol
Exact Mass340.22
IUPAC Name2-[[ethylamino-[[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide
SMILESCCN/C(=N\CC(=O)NCCOC)NCC(C)(O)c1cnn(C)c1
InChIInChI=1S/C15H28N6O3/c1-5-16-14(18-9-13(22)17-6-7-24-4)19-11-15(2,23)12-8-20-21(3)10-12/h8,10,23H,5-7,9,11H2,1-4H3,(H,17,22)(H2,16,18,19)
InChIKeyZFJNCFISSSOATB-UHFFFAOYSA-N
XLogP-1.05
TPSA112.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

methyl 4-[[[ethylamino-[[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]methylidene]amino]methyl]benzoate;hydroiodide
CID 111655549
2-[[ethylamino-[[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]methylidene]amino]-N-(3-ethynylphenyl)acetamide
CID 111655440
1-(2-methoxyethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66038024
1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(2,4,5-trimethoxyphenyl)methyl]guanidine
CID 111656218
1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(4-methylphenyl)methyl]guanidine
CID 111656032
3-[[N-ethyl-N'-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111656341
1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 111656031
methyl 5-[[[ethylamino-[[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]methylidene]amino]methyl]-2-methoxybenzoate;hydroiodide
CID 111656939
2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111977729
3-[[[ethylamino-[[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111655511
tert-butyl N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]carbamate
CID 71967740
1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111656091

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[[ethylamino-[[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide (CID 111656672) is 2-[[ethylamino-[[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[[ethylamino-[[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[[ethylamino-[[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide is CCN/C(=N\CC(=O)NCCOC)NCC(C)(O)c1cnn(C)c1.
What is the InChIKey of 2-[[ethylamino-[[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is ZFJNCFISSSOATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6O3/c1-5-16-14(18-9-13(22)17-6-7-24-4)19-11-15(2,23)12-8-20-21(3)10-12/h8,10,23H,5-7,9,11H2,1-4H3,(H,17,22)(H2,16,18,19).
What are the key properties of 2-[[ethylamino-[[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide?
2-[[ethylamino-[[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 340.43 g/mol, XLogP of -1.05, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 111656672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).