[(E)-[4-(trifluoromethyl)phenyl]methylideneamino] N-(4-nonoxyphenyl)carbamate

C24H29F3N2O3 — CID 20872776

IUPAC[(E)-[4-(trifluoromethyl)phenyl]methylideneamino] N-(4-nonoxyphenyl)carbamate
SMILESCCCCCCCCCOc1ccc(NC(=O)O/N=C/c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C24H29F3N2O3/c1-2-3-4-5-6-7-8-17-31-22-15-13-21(14-16-22)29-23(30)32-28-18-19-9-11-20(12-10-19)24(25,26)27/h9-16,18H,2-8,17H2,1H3,(H,29,30)/b28-18+
InChIKeyKZKCCZVJTAPLJH-MTDXEUNCSA-N
MW450.50 g/mol
LogP7.42
Rot. Bonds12

About [(E)-[4-(trifluoromethyl)phenyl]methylideneamino] N-(4-nonoxyphenyl)carbamate

[(E)-[4-(trifluoromethyl)phenyl]methylideneamino] N-(4-nonoxyphenyl)carbamate (PubChem CID 20872776) has the molecular formula C24H29F3N2O3 and a molecular weight of 450.50 g/mol. Its IUPAC name is [(E)-[4-(trifluoromethyl)phenyl]methylideneamino] N-(4-nonoxyphenyl)carbamate.

Molecular Properties

Compound Name[(E)-[4-(trifluoromethyl)phenyl]methylideneamino] N-(4-nonoxyphenyl)carbamate
PubChem CID20872776
Molecular FormulaC24H29F3N2O3
Molecular Weight450.50 g/mol
Exact Mass450.21
IUPAC Name[(E)-[4-(trifluoromethyl)phenyl]methylideneamino] N-(4-nonoxyphenyl)carbamate
SMILESCCCCCCCCCOc1ccc(NC(=O)O/N=C/c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C24H29F3N2O3/c1-2-3-4-5-6-7-8-17-31-22-15-13-21(14-16-22)29-23(30)32-28-18-19-9-11-20(12-10-19)24(25,26)27/h9-16,18H,2-8,17H2,1H3,(H,29,30)/b28-18+
InChIKeyKZKCCZVJTAPLJH-MTDXEUNCSA-N
XLogP7.42
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.50
LogP ≤ 57.42
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-undecoxyphenyl)carbamate
CID 20872766
[(E)-(4-fluorophenyl)methylideneamino] N-(4-butoxyphenyl)carbamate
CID 20872751
[(E)-pyridin-3-ylmethylideneamino] N-(4-hexoxyphenyl)carbamate
CID 20872724
N-(4-dodecoxyphenyl)-2-[(E)-(4-fluorophenyl)methylideneamino]oxyacetamide
CID 142272575
(propan-2-ylideneamino) N-(4-nonoxyphenyl)carbamate
CID 20872821
N'-[(4-hexoxyphenyl)methylideneamino]oxamide
CID 2590490
N'-[4-[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]oxamide
CID 11503325
[(E)-(4-heptoxyphenyl)methylideneamino]urea
CID 14915218
[(E)-pyridin-3-ylmethylideneamino] N-(4-propoxyphenyl)carbamate
CID 20872731
[4-[2-(4-heptoxyphenyl)ethynyl]phenyl] (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoate
CID 102265301
[(E)-(4-pentoxyphenyl)methylideneamino]urea
CID 6909458
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800

Frequently Asked Questions

What is the IUPAC name of [(E)-[4-(trifluoromethyl)phenyl]methylideneamino] N-(4-nonoxyphenyl)carbamate?
The IUPAC name of [(E)-[4-(trifluoromethyl)phenyl]methylideneamino] N-(4-nonoxyphenyl)carbamate (CID 20872776) is [(E)-[4-(trifluoromethyl)phenyl]methylideneamino] N-(4-nonoxyphenyl)carbamate.
What is the SMILES notation for [(E)-[4-(trifluoromethyl)phenyl]methylideneamino] N-(4-nonoxyphenyl)carbamate?
The canonical SMILES for [(E)-[4-(trifluoromethyl)phenyl]methylideneamino] N-(4-nonoxyphenyl)carbamate is CCCCCCCCCOc1ccc(NC(=O)O/N=C/c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of [(E)-[4-(trifluoromethyl)phenyl]methylideneamino] N-(4-nonoxyphenyl)carbamate?
The InChIKey is KZKCCZVJTAPLJH-MTDXEUNCSA-N. The full InChI is InChI=1S/C24H29F3N2O3/c1-2-3-4-5-6-7-8-17-31-22-15-13-21(14-16-22)29-23(30)32-28-18-19-9-11-20(12-10-19)24(25,26)27/h9-16,18H,2-8,17H2,1H3,(H,29,30)/b28-18+.
What are the key properties of [(E)-[4-(trifluoromethyl)phenyl]methylideneamino] N-(4-nonoxyphenyl)carbamate?
[(E)-[4-(trifluoromethyl)phenyl]methylideneamino] N-(4-nonoxyphenyl)carbamate has a molecular weight of 450.50 g/mol, XLogP of 7.42, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[4-(trifluoromethyl)phenyl]methylideneamino] N-(4-nonoxyphenyl)carbamate is sourced from PubChem (CID 20872776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).