2-[[ethylamino-[2-(5-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylacetamide

C18H26FN5O — CID 111972304

IUPAC2-[[ethylamino-[2-(5-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylacetamide
SMILESCCCNC(=O)C/N=C(\NCC)NCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C18H26FN5O/c1-3-8-21-17(25)12-24-18(20-4-2)22-9-7-13-11-23-16-6-5-14(19)10-15(13)16/h5-6,10-11,23H,3-4,7-9,12H2,1-2H3,(H,21,25)(H2,20,22,24)
InChIKeyMYUUUZZOWKKNMX-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.93
Rot. Bonds8

About 2-[[ethylamino-[2-(5-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylacetamide

2-[[ethylamino-[2-(5-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylacetamide (PubChem CID 111972304) has the molecular formula C18H26FN5O and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[[ethylamino-[2-(5-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[ethylamino-[2-(5-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylacetamide
PubChem CID111972304
Molecular FormulaC18H26FN5O
Molecular Weight347.44 g/mol
Exact Mass347.21
IUPAC Name2-[[ethylamino-[2-(5-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylacetamide
SMILESCCCNC(=O)C/N=C(\NCC)NCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C18H26FN5O/c1-3-8-21-17(25)12-24-18(20-4-2)22-9-7-13-11-23-16-6-5-14(19)10-15(13)16/h5-6,10-11,23H,3-4,7-9,12H2,1-2H3,(H,21,25)(H2,20,22,24)
InChIKeyMYUUUZZOWKKNMX-UHFFFAOYSA-N
XLogP1.93
TPSA81.31 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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-(5-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111972479
2-[[ethylamino-[2-(5-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111972446
3-[[[ethylamino-[2-(5-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]-N-propylbenzamide
CID 111972968
2-[[N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N-propylacetamide;hydroiodide
CID 111972523
3-[[ethylamino-[2-(6-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylpropanamide;hydroiodide
CID 111888210
2-[[ethylamino-[2-(6-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111888256
N-ethyl-3-[[[ethylamino-[2-(5-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]benzamide
CID 111972474
1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[2-(methanesulfonamido)ethyl]guanidine
CID 111972314
2-(5-fluoro-1H-indol-3-yl)-N-propylacetamide
CID 110700222
N-cyclopropyl-2-[[ethylamino-[2-(6-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]acetamide
CID 111887809
methyl 7-[[ethylamino-[2-(5-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]heptanoate;hydroiodide
CID 111972615
1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[(4-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111989106

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[2-(5-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylacetamide?
The IUPAC name of 2-[[ethylamino-[2-(5-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylacetamide (CID 111972304) is 2-[[ethylamino-[2-(5-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[ethylamino-[2-(5-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylacetamide?
The canonical SMILES for 2-[[ethylamino-[2-(5-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylacetamide is CCCNC(=O)C/N=C(\NCC)NCCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of 2-[[ethylamino-[2-(5-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylacetamide?
The InChIKey is MYUUUZZOWKKNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN5O/c1-3-8-21-17(25)12-24-18(20-4-2)22-9-7-13-11-23-16-6-5-14(19)10-15(13)16/h5-6,10-11,23H,3-4,7-9,12H2,1-2H3,(H,21,25)(H2,20,22,24).
What are the key properties of 2-[[ethylamino-[2-(5-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylacetamide?
2-[[ethylamino-[2-(5-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylacetamide has a molecular weight of 347.44 g/mol, XLogP of 1.93, 8 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[2-(5-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylacetamide is sourced from PubChem (CID 111972304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).