2-[[[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide

C19H37N5O3 — CID 110039617

IUPAC2-[[[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCC(CC)C(=O)N1CCC(N/C(=N/CC(=O)N(C)C)NCCOC)CC1
InChIInChI=1S/C19H37N5O3/c1-6-15(7-2)18(26)24-11-8-16(9-12-24)22-19(20-10-13-27-5)21-14-17(25)23(3)4/h15-16H,6-14H2,1-5H3,(H2,20,21,22)
InChIKeyGXUFKDMXPKLPRU-UHFFFAOYSA-N
MW383.54 g/mol
LogP0.68
Rot. Bonds9

About 2-[[[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110039617) has the molecular formula C19H37N5O3 and a molecular weight of 383.54 g/mol. Its IUPAC name is 2-[[[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110039617
Molecular FormulaC19H37N5O3
Molecular Weight383.54 g/mol
Exact Mass383.29
IUPAC Name2-[[[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCC(CC)C(=O)N1CCC(N/C(=N/CC(=O)N(C)C)NCCOC)CC1
InChIInChI=1S/C19H37N5O3/c1-6-15(7-2)18(26)24-11-8-16(9-12-24)22-19(20-10-13-27-5)21-14-17(25)23(3)4/h15-16H,6-14H2,1-5H3,(H2,20,21,22)
InChIKeyGXUFKDMXPKLPRU-UHFFFAOYSA-N
XLogP0.68
TPSA86.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 50.68
H-Bond Donors ≤ 52
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

2-[[(2-methoxyethylamino)-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110035426
2-[[(2-methoxyethylamino)-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110035427
2-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111671031
2-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111671032
2-[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111671051
2-[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111671052
2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111671061
2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111671062
2-[[N-[1-(2-ethylbutanoyl)piperidin-4-yl]-N'-methylcarbamimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 112051673
2-[[N-[1-(2-ethylbutanoyl)piperidin-4-yl]-N'-methylcarbamimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 112051674
2-[[ethylamino-[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 112051691
2-[[ethylamino-[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 112051692

Frequently Asked Questions

What is the IUPAC name of 2-[[[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110039617) is 2-[[[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide is CCC(CC)C(=O)N1CCC(N/C(=N/CC(=O)N(C)C)NCCOC)CC1.
What is the InChIKey of 2-[[[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is GXUFKDMXPKLPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5O3/c1-6-15(7-2)18(26)24-11-8-16(9-12-24)22-19(20-10-13-27-5)21-14-17(25)23(3)4/h15-16H,6-14H2,1-5H3,(H2,20,21,22).
What are the key properties of 2-[[[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 383.54 g/mol, XLogP of 0.68, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110039617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).