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

C25H33FN2O3 — CID 20872766

IUPAC[(E)-(4-fluorophenyl)methylideneamino] N-(4-undecoxyphenyl)carbamate
SMILESCCCCCCCCCCCOc1ccc(NC(=O)O/N=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C25H33FN2O3/c1-2-3-4-5-6-7-8-9-10-19-30-24-17-15-23(16-18-24)28-25(29)31-27-20-21-11-13-22(26)14-12-21/h11-18,20H,2-10,19H2,1H3,(H,28,29)/b27-20+
InChIKeyYJERIHVZXONWLY-NHFJDJAPSA-N
MW428.55 g/mol
LogP7.32
Rot. Bonds14

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

[(E)-(4-fluorophenyl)methylideneamino] N-(4-undecoxyphenyl)carbamate (PubChem CID 20872766) has the molecular formula C25H33FN2O3 and a molecular weight of 428.55 g/mol. Its IUPAC name is [(E)-(4-fluorophenyl)methylideneamino] N-(4-undecoxyphenyl)carbamate.

Molecular Properties

Compound Name[(E)-(4-fluorophenyl)methylideneamino] N-(4-undecoxyphenyl)carbamate
PubChem CID20872766
Molecular FormulaC25H33FN2O3
Molecular Weight428.55 g/mol
Exact Mass428.25
IUPAC Name[(E)-(4-fluorophenyl)methylideneamino] N-(4-undecoxyphenyl)carbamate
SMILESCCCCCCCCCCCOc1ccc(NC(=O)O/N=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C25H33FN2O3/c1-2-3-4-5-6-7-8-9-10-19-30-24-17-15-23(16-18-24)28-25(29)31-27-20-21-11-13-22(26)14-12-21/h11-18,20H,2-10,19H2,1H3,(H,28,29)/b27-20+
InChIKeyYJERIHVZXONWLY-NHFJDJAPSA-N
XLogP7.32
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.55
LogP ≤ 57.32
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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Related Compounds

[(E)-(4-fluorophenyl)methylideneamino] N-(4-butoxyphenyl)carbamate
CID 20872751
[(E)-[4-(trifluoromethyl)phenyl]methylideneamino] N-(4-nonoxyphenyl)carbamate
CID 20872776
N-(4-dodecoxyphenyl)-2-[(E)-(4-fluorophenyl)methylideneamino]oxyacetamide
CID 142272575
[(E)-pyridin-3-ylmethylideneamino] N-(4-hexoxyphenyl)carbamate
CID 20872724
(propan-2-ylideneamino) N-(4-nonoxyphenyl)carbamate
CID 20872821
3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 4943064
N'-[4-[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]oxamide
CID 11503325
N-(4-fluorophenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791684
N'-[(4-hexoxyphenyl)methylideneamino]oxamide
CID 2590490
N-(4-fluorophenyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988930
[(E)-(4-heptoxyphenyl)methylideneamino]urea
CID 14915218
[(E)-pyridin-3-ylmethylideneamino] N-(4-propoxyphenyl)carbamate
CID 20872731

Frequently Asked Questions

What is the IUPAC name of [(E)-(4-fluorophenyl)methylideneamino] N-(4-undecoxyphenyl)carbamate?
The IUPAC name of [(E)-(4-fluorophenyl)methylideneamino] N-(4-undecoxyphenyl)carbamate (CID 20872766) is [(E)-(4-fluorophenyl)methylideneamino] N-(4-undecoxyphenyl)carbamate.
What is the SMILES notation for [(E)-(4-fluorophenyl)methylideneamino] N-(4-undecoxyphenyl)carbamate?
The canonical SMILES for [(E)-(4-fluorophenyl)methylideneamino] N-(4-undecoxyphenyl)carbamate is CCCCCCCCCCCOc1ccc(NC(=O)O/N=C/c2ccc(F)cc2)cc1.
What is the InChIKey of [(E)-(4-fluorophenyl)methylideneamino] N-(4-undecoxyphenyl)carbamate?
The InChIKey is YJERIHVZXONWLY-NHFJDJAPSA-N. The full InChI is InChI=1S/C25H33FN2O3/c1-2-3-4-5-6-7-8-9-10-19-30-24-17-15-23(16-18-24)28-25(29)31-27-20-21-11-13-22(26)14-12-21/h11-18,20H,2-10,19H2,1H3,(H,28,29)/b27-20+.
What are the key properties of [(E)-(4-fluorophenyl)methylideneamino] N-(4-undecoxyphenyl)carbamate?
[(E)-(4-fluorophenyl)methylideneamino] N-(4-undecoxyphenyl)carbamate has a molecular weight of 428.55 g/mol, XLogP of 7.32, 14 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-undecoxyphenyl)carbamate is sourced from PubChem (CID 20872766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).