N-tert-butyl-4-(4-propan-2-ylphenyl)benzenecarboximidate

C20H24NO- — CID 59232645

IUPACN-tert-butyl-4-(4-propan-2-ylphenyl)benzenecarboximidate
SMILESCC(C)c1ccc(-c2ccc(/C([O-])=N/C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H25NO/c1-14(2)15-6-8-16(9-7-15)17-10-12-18(13-11-17)19(22)21-20(3,4)5/h6-14H,1-5H3,(H,21,22)/p-1
InChIKeyOZNRTWHZOMSTQI-UHFFFAOYSA-M
MW294.42 g/mol
LogP4.38
Rot. Bonds3

About N-tert-butyl-4-(4-propan-2-ylphenyl)benzenecarboximidate

N-tert-butyl-4-(4-propan-2-ylphenyl)benzenecarboximidate (PubChem CID 59232645) has the molecular formula C20H24NO- and a molecular weight of 294.42 g/mol. Its IUPAC name is N-tert-butyl-4-(4-propan-2-ylphenyl)benzenecarboximidate.

Molecular Properties

Compound NameN-tert-butyl-4-(4-propan-2-ylphenyl)benzenecarboximidate
PubChem CID59232645
Molecular FormulaC20H24NO-
Molecular Weight294.42 g/mol
Exact Mass294.19
IUPAC NameN-tert-butyl-4-(4-propan-2-ylphenyl)benzenecarboximidate
SMILESCC(C)c1ccc(-c2ccc(/C([O-])=N/C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H25NO/c1-14(2)15-6-8-16(9-7-15)17-10-12-18(13-11-17)19(22)21-20(3,4)5/h6-14H,1-5H3,(H,21,22)/p-1
InChIKeyOZNRTWHZOMSTQI-UHFFFAOYSA-M
XLogP4.38
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-propan-2-ylphenyl)benzenecarboximidate?
The IUPAC name of N-tert-butyl-4-(4-propan-2-ylphenyl)benzenecarboximidate (CID 59232645) is N-tert-butyl-4-(4-propan-2-ylphenyl)benzenecarboximidate.
What is the SMILES notation for N-tert-butyl-4-(4-propan-2-ylphenyl)benzenecarboximidate?
The canonical SMILES for N-tert-butyl-4-(4-propan-2-ylphenyl)benzenecarboximidate is CC(C)c1ccc(-c2ccc(/C([O-])=N/C(C)(C)C)cc2)cc1.
What is the InChIKey of N-tert-butyl-4-(4-propan-2-ylphenyl)benzenecarboximidate?
The InChIKey is OZNRTWHZOMSTQI-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H25NO/c1-14(2)15-6-8-16(9-7-15)17-10-12-18(13-11-17)19(22)21-20(3,4)5/h6-14H,1-5H3,(H,21,22)/p-1.
What are the key properties of N-tert-butyl-4-(4-propan-2-ylphenyl)benzenecarboximidate?
N-tert-butyl-4-(4-propan-2-ylphenyl)benzenecarboximidate has a molecular weight of 294.42 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(4-propan-2-ylphenyl)benzenecarboximidate is sourced from PubChem (CID 59232645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).