N-cyclopropyl-2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]acetamide

C17H25FN4O2 — CID 111678470

IUPACN-cyclopropyl-2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CC1)NCC(C)Oc1ccc(F)cc1
InChIInChI=1S/C17H25FN4O2/c1-3-19-17(21-11-16(23)22-14-6-7-14)20-10-12(2)24-15-8-4-13(18)5-9-15/h4-5,8-9,12,14H,3,6-7,10-11H2,1-2H3,(H,22,23)(H2,19,20,21)
InChIKeyCTGUAOAWCODYIS-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.43
Rot. Bonds8

About N-cyclopropyl-2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]acetamide

N-cyclopropyl-2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]acetamide (PubChem CID 111678470) has the molecular formula C17H25FN4O2 and a molecular weight of 336.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]acetamide
PubChem CID111678470
Molecular FormulaC17H25FN4O2
Molecular Weight336.41 g/mol
Exact Mass336.20
IUPAC NameN-cyclopropyl-2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CC1)NCC(C)Oc1ccc(F)cc1
InChIInChI=1S/C17H25FN4O2/c1-3-19-17(21-11-16(23)22-14-6-7-14)20-10-12(2)24-15-8-4-13(18)5-9-15/h4-5,8-9,12,14H,3,6-7,10-11H2,1-2H3,(H,22,23)(H2,19,20,21)
InChIKeyCTGUAOAWCODYIS-UHFFFAOYSA-N
XLogP1.43
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

N-cyclopropyl-2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]acetamide;hydroiodide
CID 111684649
2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-propylacetamide
CID 111678856
2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111678855
2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111678331
N-ethyl-2-[[ethylamino-[2-(3-fluorophenoxy)propylamino]methylidene]amino]acetamide;hydroiodide
CID 111681213
2-[[(cyclohexylamino)-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111497766
N-cyclopropyl-2-[[ethylamino-[3-(4-fluorophenyl)sulfanylpropylamino]methylidene]amino]acetamide
CID 111311472
N-cyclopropyl-2-[[ethylamino-[3-(4-methoxyphenyl)butylamino]methylidene]amino]acetamide
CID 111641542
N-cyclopropyl-2-[4-[2-[[N-[2-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]phenoxy]acetamide
CID 111678654
2-[[[2-(4-fluorophenoxy)propylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111980066
2-[4-[[N-[2-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]piperidin-1-yl]-N-methylacetamide
CID 111991657
N-(1,1-dioxothiolan-3-yl)-3-[[N-[2-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 111678230

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]acetamide (CID 111678470) is N-cyclopropyl-2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]acetamide is CCN/C(=N\CC(=O)NC1CC1)NCC(C)Oc1ccc(F)cc1.
What is the InChIKey of N-cyclopropyl-2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]acetamide?
The InChIKey is CTGUAOAWCODYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O2/c1-3-19-17(21-11-16(23)22-14-6-7-14)20-10-12(2)24-15-8-4-13(18)5-9-15/h4-5,8-9,12,14H,3,6-7,10-11H2,1-2H3,(H,22,23)(H2,19,20,21).
What are the key properties of N-cyclopropyl-2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]acetamide?
N-cyclopropyl-2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]acetamide has a molecular weight of 336.41 g/mol, XLogP of 1.43, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]acetamide is sourced from PubChem (CID 111678470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).