2-ethoxyethyl N'-butyl-N-[4-(trifluoromethyl)benzoyl]carbamimidate

C17H23F3N2O3 — CID 7416243

IUPAC2-ethoxyethyl N'-butyl-N-[4-(trifluoromethyl)benzoyl]carbamimidate
SMILESCCCC/N=C(/NC(=O)c1ccc(C(F)(F)F)cc1)OCCOCC
InChIInChI=1S/C17H23F3N2O3/c1-3-5-10-21-16(25-12-11-24-4-2)22-15(23)13-6-8-14(9-7-13)17(18,19)20/h6-9H,3-5,10-12H2,1-2H3,(H,21,22,23)
InChIKeyBFRKESHSAIMRKU-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.64
Rot. Bonds8

About 2-ethoxyethyl N'-butyl-N-[4-(trifluoromethyl)benzoyl]carbamimidate

2-ethoxyethyl N'-butyl-N-[4-(trifluoromethyl)benzoyl]carbamimidate (PubChem CID 7416243) has the molecular formula C17H23F3N2O3 and a molecular weight of 360.38 g/mol. Its IUPAC name is 2-ethoxyethyl N'-butyl-N-[4-(trifluoromethyl)benzoyl]carbamimidate.

Molecular Properties

Compound Name2-ethoxyethyl N'-butyl-N-[4-(trifluoromethyl)benzoyl]carbamimidate
PubChem CID7416243
Molecular FormulaC17H23F3N2O3
Molecular Weight360.38 g/mol
Exact Mass360.17
IUPAC Name2-ethoxyethyl N'-butyl-N-[4-(trifluoromethyl)benzoyl]carbamimidate
SMILESCCCC/N=C(/NC(=O)c1ccc(C(F)(F)F)cc1)OCCOCC
InChIInChI=1S/C17H23F3N2O3/c1-3-5-10-21-16(25-12-11-24-4-2)22-15(23)13-6-8-14(9-7-13)17(18,19)20/h6-9H,3-5,10-12H2,1-2H3,(H,21,22,23)
InChIKeyBFRKESHSAIMRKU-UHFFFAOYSA-N
XLogP3.64
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-ethoxyethyl N'-butan-2-yl-N-[4-(trifluoromethyl)benzoyl]carbamimidate
CID 42665456
ethyl N'-butyl-N-(4-methylbenzoyl)carbamimidate
CID 4035465
3-[[2-ethoxyethoxy-[(4-methoxybenzoyl)amino]methylidene]amino]propyl-dimethylazanium
CID 7271327
2-ethoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate
CID 7237354
propyl N'-hexyl-N-(4-methylbenzoyl)carbamimidate
CID 7238238
2-ethoxyethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate
CID 5145915
N-[N'-(3-ethoxypropyl)-N-(5-methyl-1H-pyrazol-3-yl)carbamimidoyl]-4-(trifluoromethyl)benzamide
CID 118375506
ethyl N-(4-fluorobenzoyl)-N'-propylcarbamimidate
CID 3880683
2-ethoxyethyl N'-cyclopropyl-N-(4-methoxybenzoyl)carbamimidate
CID 7296512
2-ethoxyethyl N-(4-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
CID 7296539
2-(2-ethoxyethoxy)ethyl 2-[4-(trifluoromethyl)phenoxy]acetate
CID 166194032
ethyl N'-[3-(dimethylamino)propyl]-N-(4-methylbenzoyl)carbamimidate
CID 7256758

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl N'-butyl-N-[4-(trifluoromethyl)benzoyl]carbamimidate?
The IUPAC name of 2-ethoxyethyl N'-butyl-N-[4-(trifluoromethyl)benzoyl]carbamimidate (CID 7416243) is 2-ethoxyethyl N'-butyl-N-[4-(trifluoromethyl)benzoyl]carbamimidate.
What is the SMILES notation for 2-ethoxyethyl N'-butyl-N-[4-(trifluoromethyl)benzoyl]carbamimidate?
The canonical SMILES for 2-ethoxyethyl N'-butyl-N-[4-(trifluoromethyl)benzoyl]carbamimidate is CCCC/N=C(/NC(=O)c1ccc(C(F)(F)F)cc1)OCCOCC.
What is the InChIKey of 2-ethoxyethyl N'-butyl-N-[4-(trifluoromethyl)benzoyl]carbamimidate?
The InChIKey is BFRKESHSAIMRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O3/c1-3-5-10-21-16(25-12-11-24-4-2)22-15(23)13-6-8-14(9-7-13)17(18,19)20/h6-9H,3-5,10-12H2,1-2H3,(H,21,22,23).
What are the key properties of 2-ethoxyethyl N'-butyl-N-[4-(trifluoromethyl)benzoyl]carbamimidate?
2-ethoxyethyl N'-butyl-N-[4-(trifluoromethyl)benzoyl]carbamimidate has a molecular weight of 360.38 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl N'-butyl-N-[4-(trifluoromethyl)benzoyl]carbamimidate is sourced from PubChem (CID 7416243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).