N-benzyl-2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]acetamide

C23H33N5O2 — CID 111304523

IUPACN-benzyl-2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NCc1ccccc1)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C23H33N5O2/c1-2-24-23(27-18-22(29)25-16-19-10-5-3-6-11-19)26-17-20(21-12-9-15-30-21)28-13-7-4-8-14-28/h3,5-6,9-12,15,20H,2,4,7-8,13-14,16-18H2,1H3,(H,25,29)(H2,24,26,27)
InChIKeyVVVAMCGPAHYIBW-UHFFFAOYSA-N
MW411.55 g/mol
LogP2.68
Rot. Bonds9

About N-benzyl-2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]acetamide

N-benzyl-2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]acetamide (PubChem CID 111304523) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-benzyl-2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]acetamide
PubChem CID111304523
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC NameN-benzyl-2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NCc1ccccc1)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C23H33N5O2/c1-2-24-23(27-18-22(29)25-16-19-10-5-3-6-11-19)26-17-20(21-12-9-15-30-21)28-13-7-4-8-14-28/h3,5-6,9-12,15,20H,2,4,7-8,13-14,16-18H2,1H3,(H,25,29)(H2,24,26,27)
InChIKeyVVVAMCGPAHYIBW-UHFFFAOYSA-N
XLogP2.68
TPSA81.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111007768
2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]-N-propylacetamide
CID 111304741
2-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 111007867
2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111305090
N-benzyl-2-[[ethylamino-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methylidene]amino]acetamide;hydroiodide
CID 111011834
2-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 111007685
2-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111007684
N-ethyl-3-[[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111304344
2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111303700
1-benzyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 24664373
1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylguanidine;hydroiodide
CID 111304156
1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(1-hydroxycyclohexyl)methyl]guanidine
CID 111006911

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]acetamide?
The IUPAC name of N-benzyl-2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]acetamide (CID 111304523) is N-benzyl-2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]acetamide.
What is the SMILES notation for N-benzyl-2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]acetamide?
The canonical SMILES for N-benzyl-2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]acetamide is CCN/C(=N\CC(=O)NCc1ccccc1)NCC(c1ccco1)N1CCCCC1.
What is the InChIKey of N-benzyl-2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]acetamide?
The InChIKey is VVVAMCGPAHYIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-2-24-23(27-18-22(29)25-16-19-10-5-3-6-11-19)26-17-20(21-12-9-15-30-21)28-13-7-4-8-14-28/h3,5-6,9-12,15,20H,2,4,7-8,13-14,16-18H2,1H3,(H,25,29)(H2,24,26,27).
What are the key properties of N-benzyl-2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]acetamide?
N-benzyl-2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]acetamide has a molecular weight of 411.55 g/mol, XLogP of 2.68, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]acetamide is sourced from PubChem (CID 111304523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).