N-cyclopropyl-2-[[ethylamino-[2-[4-(trifluoromethyl)phenyl]ethylamino]methylidene]amino]acetamide;hydroiodide

C17H24F3IN4O — CID 111295894

IUPACN-cyclopropyl-2-[[ethylamino-[2-[4-(trifluoromethyl)phenyl]ethylamino]methylidene]amino]acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NC1CC1)NCCc1ccc(C(F)(F)F)cc1.I
InChIInChI=1S/C17H23F3N4O.HI/c1-2-21-16(23-11-15(25)24-14-7-8-14)22-10-9-12-3-5-13(6-4-12)17(18,19)20;/h3-6,14H,2,7-11H2,1H3,(H,24,25)(H2,21,22,23);1H
InChIKeyDOEGZDOGMHZULU-UHFFFAOYSA-N
MW484.30 g/mol
LogP2.70
Rot. Bonds7

About N-cyclopropyl-2-[[ethylamino-[2-[4-(trifluoromethyl)phenyl]ethylamino]methylidene]amino]acetamide;hydroiodide

N-cyclopropyl-2-[[ethylamino-[2-[4-(trifluoromethyl)phenyl]ethylamino]methylidene]amino]acetamide;hydroiodide (PubChem CID 111295894) has the molecular formula C17H24F3IN4O and a molecular weight of 484.30 g/mol. Its IUPAC name is N-cyclopropyl-2-[[ethylamino-[2-[4-(trifluoromethyl)phenyl]ethylamino]methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[ethylamino-[2-[4-(trifluoromethyl)phenyl]ethylamino]methylidene]amino]acetamide;hydroiodide
PubChem CID111295894
Molecular FormulaC17H24F3IN4O
Molecular Weight484.30 g/mol
Exact Mass484.09
IUPAC NameN-cyclopropyl-2-[[ethylamino-[2-[4-(trifluoromethyl)phenyl]ethylamino]methylidene]amino]acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NC1CC1)NCCc1ccc(C(F)(F)F)cc1.I
InChIInChI=1S/C17H23F3N4O.HI/c1-2-21-16(23-11-15(25)24-14-7-8-14)22-10-9-12-3-5-13(6-4-12)17(18,19)20;/h3-6,14H,2,7-11H2,1H3,(H,24,25)(H2,21,22,23);1H
InChIKeyDOEGZDOGMHZULU-UHFFFAOYSA-N
XLogP2.70
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.30
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[[2-(4-tert-butylphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide
CID 111891963
N-tert-butyl-2-[[[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111385283
N-cyclopropyl-2-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide
CID 111649430
N-cyclopropyl-2-[[[2-(3,4-diethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide
CID 111246377
3-[2-[[N'-[2-(cyclopropylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111634142
N-cyclopropyl-2-[[[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-(ethylamino)methylidene]amino]acetamide
CID 111563542
1-ethyl-2-(2-hydroxyethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 111295493
1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine;hydroiodide
CID 111295552
N-cyclohexyl-2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide
CID 111214935
N-cyclopropyl-2-[4-[2-[[N-ethyl-N'-(2-methoxy-2-methylpropyl)carbamimidoyl]amino]ethyl]phenoxy]acetamide
CID 111608231
N-cyclopropyl-2-[[ethylamino-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylamino]methylidene]amino]acetamide;hydroiodide
CID 111687417
4-[[[ethylamino-[2-[4-(trifluoromethyl)phenyl]ethylamino]methylidene]amino]methyl]-N-methylbenzamide
CID 111295447

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[ethylamino-[2-[4-(trifluoromethyl)phenyl]ethylamino]methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N-cyclopropyl-2-[[ethylamino-[2-[4-(trifluoromethyl)phenyl]ethylamino]methylidene]amino]acetamide;hydroiodide (CID 111295894) is N-cyclopropyl-2-[[ethylamino-[2-[4-(trifluoromethyl)phenyl]ethylamino]methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N-cyclopropyl-2-[[ethylamino-[2-[4-(trifluoromethyl)phenyl]ethylamino]methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N-cyclopropyl-2-[[ethylamino-[2-[4-(trifluoromethyl)phenyl]ethylamino]methylidene]amino]acetamide;hydroiodide is CCN/C(=N\CC(=O)NC1CC1)NCCc1ccc(C(F)(F)F)cc1.I.
What is the InChIKey of N-cyclopropyl-2-[[ethylamino-[2-[4-(trifluoromethyl)phenyl]ethylamino]methylidene]amino]acetamide;hydroiodide?
The InChIKey is DOEGZDOGMHZULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O.HI/c1-2-21-16(23-11-15(25)24-14-7-8-14)22-10-9-12-3-5-13(6-4-12)17(18,19)20;/h3-6,14H,2,7-11H2,1H3,(H,24,25)(H2,21,22,23);1H.
What are the key properties of N-cyclopropyl-2-[[ethylamino-[2-[4-(trifluoromethyl)phenyl]ethylamino]methylidene]amino]acetamide;hydroiodide?
N-cyclopropyl-2-[[ethylamino-[2-[4-(trifluoromethyl)phenyl]ethylamino]methylidene]amino]acetamide;hydroiodide has a molecular weight of 484.30 g/mol, XLogP of 2.70, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[ethylamino-[2-[4-(trifluoromethyl)phenyl]ethylamino]methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 111295894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).