2-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(3-ethylphenyl)acetamide

C23H33N5O2 — CID 111007867

IUPAC2-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(3-ethylphenyl)acetamide
SMILESCCN/C(=N\CC(=O)Nc1cccc(CC)c1)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C23H33N5O2/c1-3-18-9-7-10-19(15-18)27-22(29)17-26-23(24-4-2)25-16-20(21-11-8-14-30-21)28-12-5-6-13-28/h7-11,14-15,20H,3-6,12-13,16-17H2,1-2H3,(H,27,29)(H2,24,25,26)
InChIKeyZIBFKHVHQIYMGL-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.17
Rot. Bonds9

About 2-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(3-ethylphenyl)acetamide

2-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(3-ethylphenyl)acetamide (PubChem CID 111007867) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(3-ethylphenyl)acetamide
PubChem CID111007867
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC Name2-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(3-ethylphenyl)acetamide
SMILESCCN/C(=N\CC(=O)Nc1cccc(CC)c1)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C23H33N5O2/c1-3-18-9-7-10-19(15-18)27-22(29)17-26-23(24-4-2)25-16-20(21-11-8-14-30-21)28-12-5-6-13-28/h7-11,14-15,20H,3-6,12-13,16-17H2,1-2H3,(H,27,29)(H2,24,25,26)
InChIKeyZIBFKHVHQIYMGL-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
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-(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
2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111303700
N-benzyl-2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]acetamide
CID 111304523
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
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,N-dimethylacetamide;hydroiodide
CID 111305090
2-[[ethylamino-[2-(furan-2-yl)ethylamino]methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 111354256
2-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111930905
N-[3-[[[N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 111008655
1-(3-ethylphenyl)-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine
CID 111027456

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(3-ethylphenyl)acetamide (CID 111007867) is 2-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(3-ethylphenyl)acetamide is CCN/C(=N\CC(=O)Nc1cccc(CC)c1)NCC(c1ccco1)N1CCCC1.
What is the InChIKey of 2-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(3-ethylphenyl)acetamide?
The InChIKey is ZIBFKHVHQIYMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-3-18-9-7-10-19(15-18)27-22(29)17-26-23(24-4-2)25-16-20(21-11-8-14-30-21)28-12-5-6-13-28/h7-11,14-15,20H,3-6,12-13,16-17H2,1-2H3,(H,27,29)(H2,24,25,26).
What are the key properties of 2-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(3-ethylphenyl)acetamide?
2-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(3-ethylphenyl)acetamide has a molecular weight of 411.55 g/mol, XLogP of 3.17, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 111007867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).