[(E)-pyridin-3-ylmethylideneamino] N-(4-hexoxyphenyl)carbamate

C19H23N3O3 — CID 20872724

IUPAC[(E)-pyridin-3-ylmethylideneamino] N-(4-hexoxyphenyl)carbamate
SMILESCCCCCCOc1ccc(NC(=O)O/N=C/c2cccnc2)cc1
InChIInChI=1S/C19H23N3O3/c1-2-3-4-5-13-24-18-10-8-17(9-11-18)22-19(23)25-21-15-16-7-6-12-20-14-16/h6-12,14-15H,2-5,13H2,1H3,(H,22,23)/b21-15+
InChIKeyRMVXLSAGDWMXBQ-RCCKNPSSSA-N
MW341.41 g/mol
LogP4.62
Rot. Bonds9

About [(E)-pyridin-3-ylmethylideneamino] N-(4-hexoxyphenyl)carbamate

[(E)-pyridin-3-ylmethylideneamino] N-(4-hexoxyphenyl)carbamate (PubChem CID 20872724) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is [(E)-pyridin-3-ylmethylideneamino] N-(4-hexoxyphenyl)carbamate.

Molecular Properties

Compound Name[(E)-pyridin-3-ylmethylideneamino] N-(4-hexoxyphenyl)carbamate
PubChem CID20872724
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name[(E)-pyridin-3-ylmethylideneamino] N-(4-hexoxyphenyl)carbamate
SMILESCCCCCCOc1ccc(NC(=O)O/N=C/c2cccnc2)cc1
InChIInChI=1S/C19H23N3O3/c1-2-3-4-5-13-24-18-10-8-17(9-11-18)22-19(23)25-21-15-16-7-6-12-20-14-16/h6-12,14-15H,2-5,13H2,1H3,(H,22,23)/b21-15+
InChIKeyRMVXLSAGDWMXBQ-RCCKNPSSSA-N
XLogP4.62
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-pyridin-3-ylmethylideneamino] N-(4-propoxyphenyl)carbamate
CID 20872731
[(E)-(4-fluorophenyl)methylideneamino] N-(4-undecoxyphenyl)carbamate
CID 20872766
[(E)-[4-(trifluoromethyl)phenyl]methylideneamino] N-(4-nonoxyphenyl)carbamate
CID 20872776
[(E)-(4-fluorophenyl)methylideneamino] N-(4-butoxyphenyl)carbamate
CID 20872751
(propan-2-ylideneamino) N-(4-nonoxyphenyl)carbamate
CID 20872821
1-(4-decoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 5217676
N-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide
CID 6018184
N-[(Z)-pyridin-3-ylmethylideneamino]decanamide
CID 6008044
N'-[4-[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]oxamide
CID 11503325
2-(4-butylphenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 6042930
4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911
quinolin-8-yl N-(4-nonoxyphenyl)carbamate
CID 69032746

Frequently Asked Questions

What is the IUPAC name of [(E)-pyridin-3-ylmethylideneamino] N-(4-hexoxyphenyl)carbamate?
The IUPAC name of [(E)-pyridin-3-ylmethylideneamino] N-(4-hexoxyphenyl)carbamate (CID 20872724) is [(E)-pyridin-3-ylmethylideneamino] N-(4-hexoxyphenyl)carbamate.
What is the SMILES notation for [(E)-pyridin-3-ylmethylideneamino] N-(4-hexoxyphenyl)carbamate?
The canonical SMILES for [(E)-pyridin-3-ylmethylideneamino] N-(4-hexoxyphenyl)carbamate is CCCCCCOc1ccc(NC(=O)O/N=C/c2cccnc2)cc1.
What is the InChIKey of [(E)-pyridin-3-ylmethylideneamino] N-(4-hexoxyphenyl)carbamate?
The InChIKey is RMVXLSAGDWMXBQ-RCCKNPSSSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-3-4-5-13-24-18-10-8-17(9-11-18)22-19(23)25-21-15-16-7-6-12-20-14-16/h6-12,14-15H,2-5,13H2,1H3,(H,22,23)/b21-15+.
What are the key properties of [(E)-pyridin-3-ylmethylideneamino] N-(4-hexoxyphenyl)carbamate?
[(E)-pyridin-3-ylmethylideneamino] N-(4-hexoxyphenyl)carbamate has a molecular weight of 341.41 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-pyridin-3-ylmethylideneamino] N-(4-hexoxyphenyl)carbamate is sourced from PubChem (CID 20872724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).