[(E)-(4-fluorophenyl)methylideneamino] N-(4-hexoxyphenyl)carbamate

C20H23FN2O3 — CID 20872757

IUPAC[(E)-(4-fluorophenyl)methylideneamino] N-(4-hexoxyphenyl)carbamate
SMILESCCCCCCOc1ccc(NC(=O)O/N=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O3/c1-2-3-4-5-14-25-19-12-10-18(11-13-19)23-20(24)26-22-15-16-6-8-17(21)9-7-16/h6-13,15H,2-5,14H2,1H3,(H,23,24)/b22-15+
InChIKeySDRGNRVOMGIPIW-PXLXIMEGSA-N
MW358.41 g/mol
LogP5.37
Rot. Bonds9

About [(E)-(4-fluorophenyl)methylideneamino] N-(4-hexoxyphenyl)carbamate

[(E)-(4-fluorophenyl)methylideneamino] N-(4-hexoxyphenyl)carbamate (PubChem CID 20872757) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is [(E)-(4-fluorophenyl)methylideneamino] N-(4-hexoxyphenyl)carbamate.

Molecular Properties

Compound Name[(E)-(4-fluorophenyl)methylideneamino] N-(4-hexoxyphenyl)carbamate
PubChem CID20872757
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name[(E)-(4-fluorophenyl)methylideneamino] N-(4-hexoxyphenyl)carbamate
SMILESCCCCCCOc1ccc(NC(=O)O/N=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O3/c1-2-3-4-5-14-25-19-12-10-18(11-13-19)23-20(24)26-22-15-16-6-8-17(21)9-7-16/h6-13,15H,2-5,14H2,1H3,(H,23,24)/b22-15+
InChIKeySDRGNRVOMGIPIW-PXLXIMEGSA-N
XLogP5.37
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.41
LogP ≤ 55.37
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': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-(4-fluorophenyl)methylideneamino] N-(4-hexoxyphenyl)carbamate?
The IUPAC name of [(E)-(4-fluorophenyl)methylideneamino] N-(4-hexoxyphenyl)carbamate (CID 20872757) is [(E)-(4-fluorophenyl)methylideneamino] N-(4-hexoxyphenyl)carbamate.
What is the SMILES notation for [(E)-(4-fluorophenyl)methylideneamino] N-(4-hexoxyphenyl)carbamate?
The canonical SMILES for [(E)-(4-fluorophenyl)methylideneamino] N-(4-hexoxyphenyl)carbamate is CCCCCCOc1ccc(NC(=O)O/N=C/c2ccc(F)cc2)cc1.
What is the InChIKey of [(E)-(4-fluorophenyl)methylideneamino] N-(4-hexoxyphenyl)carbamate?
The InChIKey is SDRGNRVOMGIPIW-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-2-3-4-5-14-25-19-12-10-18(11-13-19)23-20(24)26-22-15-16-6-8-17(21)9-7-16/h6-13,15H,2-5,14H2,1H3,(H,23,24)/b22-15+.
What are the key properties of [(E)-(4-fluorophenyl)methylideneamino] N-(4-hexoxyphenyl)carbamate?
[(E)-(4-fluorophenyl)methylideneamino] N-(4-hexoxyphenyl)carbamate has a molecular weight of 358.41 g/mol, XLogP of 5.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(4-fluorophenyl)methylideneamino] N-(4-hexoxyphenyl)carbamate is sourced from PubChem (CID 20872757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).