N-[2-[[ethylamino-[2-[3-(trifluoromethyl)phenoxy]ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide

C18H25F3N4O2 — CID 111927018

IUPACN-[2-[[ethylamino-[2-[3-(trifluoromethyl)phenoxy]ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide
SMILESCCN/C(=N\CCNC(=O)C1CC1)NCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H25F3N4O2/c1-2-22-17(24-9-8-23-16(26)13-6-7-13)25-10-11-27-15-5-3-4-14(12-15)18(19,20)21/h3-5,12-13H,2,6-11H2,1H3,(H,23,26)(H2,22,24,25)
InChIKeyFWUDBUXSKHLDLR-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.17
Rot. Bonds9

About N-[2-[[ethylamino-[2-[3-(trifluoromethyl)phenoxy]ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide

N-[2-[[ethylamino-[2-[3-(trifluoromethyl)phenoxy]ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide (PubChem CID 111927018) has the molecular formula C18H25F3N4O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is N-[2-[[ethylamino-[2-[3-(trifluoromethyl)phenoxy]ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[ethylamino-[2-[3-(trifluoromethyl)phenoxy]ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide
PubChem CID111927018
Molecular FormulaC18H25F3N4O2
Molecular Weight386.42 g/mol
Exact Mass386.19
IUPAC NameN-[2-[[ethylamino-[2-[3-(trifluoromethyl)phenoxy]ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide
SMILESCCN/C(=N\CCNC(=O)C1CC1)NCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H25F3N4O2/c1-2-22-17(24-9-8-23-16(26)13-6-7-13)25-10-11-27-15-5-3-4-14(12-15)18(19,20)21/h3-5,12-13H,2,6-11H2,1H3,(H,23,26)(H2,22,24,25)
InChIKeyFWUDBUXSKHLDLR-UHFFFAOYSA-N
XLogP2.17
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

N-[2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111366809
N-[2-[[ethylamino-[2-(3-methoxyphenoxy)ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111927466
1-ethyl-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]-2-(3,3,3-trifluoropropyl)guanidine
CID 109471393
N-[2-[[ethylamino-[2-(4-methylphenoxy)ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111277131
2-[[ethylamino-[2-[3-(trifluoromethyl)phenoxy]ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111365563
N-[2-[[[2-(2,3-dichlorophenoxy)ethylamino]-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111927912
1-ethyl-3-prop-2-ynyl-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]guanidine
CID 136921991
1-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]guanidine
CID 111146945
3-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119736703
N-[2-[[ethylamino-(2-naphthalen-1-yloxyethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111927003
N-[2-(3-tert-butylphenoxy)ethyl]cyclohexanecarboxamide
CID 113100423
1-(benzenesulfonyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide
CID 55803251

Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethylamino-[2-[3-(trifluoromethyl)phenoxy]ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[ethylamino-[2-[3-(trifluoromethyl)phenoxy]ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide (CID 111927018) is N-[2-[[ethylamino-[2-[3-(trifluoromethyl)phenoxy]ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[ethylamino-[2-[3-(trifluoromethyl)phenoxy]ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[ethylamino-[2-[3-(trifluoromethyl)phenoxy]ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide is CCN/C(=N\CCNC(=O)C1CC1)NCCOc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[[ethylamino-[2-[3-(trifluoromethyl)phenoxy]ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide?
The InChIKey is FWUDBUXSKHLDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N4O2/c1-2-22-17(24-9-8-23-16(26)13-6-7-13)25-10-11-27-15-5-3-4-14(12-15)18(19,20)21/h3-5,12-13H,2,6-11H2,1H3,(H,23,26)(H2,22,24,25).
What are the key properties of N-[2-[[ethylamino-[2-[3-(trifluoromethyl)phenoxy]ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide?
N-[2-[[ethylamino-[2-[3-(trifluoromethyl)phenoxy]ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide has a molecular weight of 386.42 g/mol, XLogP of 2.17, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[ethylamino-[2-[3-(trifluoromethyl)phenoxy]ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 111927018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).