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

C17H23F3N2O3 — CID 42665456

IUPAC2-ethoxyethyl N'-butan-2-yl-N-[4-(trifluoromethyl)benzoyl]carbamimidate
SMILESCCOCCO/C(=N\C(C)CC)NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O3/c1-4-12(3)21-16(25-11-10-24-5-2)22-15(23)13-6-8-14(9-7-13)17(18,19)20/h6-9,12H,4-5,10-11H2,1-3H3,(H,21,22,23)
InChIKeyDSBCVNHFXSEWMZ-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.64
Rot. Bonds7

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

2-ethoxyethyl N'-butan-2-yl-N-[4-(trifluoromethyl)benzoyl]carbamimidate (PubChem CID 42665456) has the molecular formula C17H23F3N2O3 and a molecular weight of 360.38 g/mol. Its IUPAC name is 2-ethoxyethyl N'-butan-2-yl-N-[4-(trifluoromethyl)benzoyl]carbamimidate.

Molecular Properties

Compound Name2-ethoxyethyl N'-butan-2-yl-N-[4-(trifluoromethyl)benzoyl]carbamimidate
PubChem CID42665456
Molecular FormulaC17H23F3N2O3
Molecular Weight360.38 g/mol
Exact Mass360.17
IUPAC Name2-ethoxyethyl N'-butan-2-yl-N-[4-(trifluoromethyl)benzoyl]carbamimidate
SMILESCCOCCO/C(=N\C(C)CC)NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O3/c1-4-12(3)21-16(25-11-10-24-5-2)22-15(23)13-6-8-14(9-7-13)17(18,19)20/h6-9,12H,4-5,10-11H2,1-3H3,(H,21,22,23)
InChIKeyDSBCVNHFXSEWMZ-UHFFFAOYSA-N
XLogP3.64
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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'-butyl-N-[4-(trifluoromethyl)benzoyl]carbamimidate
CID 7416243
2-ethoxyethyl N-(4-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
CID 7296539
2-ethoxyethyl N-(4-methoxybenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
CID 7296851
2-ethoxyethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate
CID 5145915
ethyl N'-[(2S)-3-methylbutan-2-yl]-N-[3-(trifluoromethyl)benzoyl]carbamimidate
CID 7238521
2-ethoxyethyl N'-[(2R)-5-(diethylamino)pentan-2-yl]-N-(3-fluorobenzoyl)carbamimidate
CID 7349979
[(4S)-4-[[ethoxy-[[3-(trifluoromethyl)benzoyl]amino]methylidene]amino]pentyl]-diethylazanium
CID 7495264
2-ethoxyethyl 3-(trifluoromethyl)benzoate
CID 78788467
ethyl N-[4-(trifluoromethyl)benzoyl]ethanehydrazonate
CID 3787588
3-[[2-ethoxyethoxy-[(4-methoxybenzoyl)amino]methylidene]amino]propyl-dimethylazanium
CID 7271327
2-ethoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate
CID 7237354
2-ethoxyethyl N'-cyclopropyl-N-(4-methoxybenzoyl)carbamimidate
CID 7296512

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl N'-butan-2-yl-N-[4-(trifluoromethyl)benzoyl]carbamimidate?
The IUPAC name of 2-ethoxyethyl N'-butan-2-yl-N-[4-(trifluoromethyl)benzoyl]carbamimidate (CID 42665456) is 2-ethoxyethyl N'-butan-2-yl-N-[4-(trifluoromethyl)benzoyl]carbamimidate.
What is the SMILES notation for 2-ethoxyethyl N'-butan-2-yl-N-[4-(trifluoromethyl)benzoyl]carbamimidate?
The canonical SMILES for 2-ethoxyethyl N'-butan-2-yl-N-[4-(trifluoromethyl)benzoyl]carbamimidate is CCOCCO/C(=N\C(C)CC)NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-ethoxyethyl N'-butan-2-yl-N-[4-(trifluoromethyl)benzoyl]carbamimidate?
The InChIKey is DSBCVNHFXSEWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O3/c1-4-12(3)21-16(25-11-10-24-5-2)22-15(23)13-6-8-14(9-7-13)17(18,19)20/h6-9,12H,4-5,10-11H2,1-3H3,(H,21,22,23).
What are the key properties of 2-ethoxyethyl N'-butan-2-yl-N-[4-(trifluoromethyl)benzoyl]carbamimidate?
2-ethoxyethyl N'-butan-2-yl-N-[4-(trifluoromethyl)benzoyl]carbamimidate has a molecular weight of 360.38 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl N'-butan-2-yl-N-[4-(trifluoromethyl)benzoyl]carbamimidate is sourced from PubChem (CID 42665456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).