N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetradecanamide

C24H38N2O2 — CID 45054649

IUPACN-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetradecanamide
SMILESC=CCOc1ccccc1/C=N/NC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C24H38N2O2/c1-3-5-6-7-8-9-10-11-12-13-14-19-24(27)26-25-21-22-17-15-16-18-23(22)28-20-4-2/h4,15-18,21H,2-3,5-14,19-20H2,1H3,(H,26,27)/b25-21+
InChIKeyOLYBPVMRHQTOFD-NJNXFGOHSA-N
MW386.58 g/mol
LogP6.40
Rot. Bonds17

About N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetradecanamide

N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetradecanamide (PubChem CID 45054649) has the molecular formula C24H38N2O2 and a molecular weight of 386.58 g/mol. Its IUPAC name is N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetradecanamide.

Molecular Properties

Compound NameN-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetradecanamide
PubChem CID45054649
Molecular FormulaC24H38N2O2
Molecular Weight386.58 g/mol
Exact Mass386.29
IUPAC NameN-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetradecanamide
SMILESC=CCOc1ccccc1/C=N/NC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C24H38N2O2/c1-3-5-6-7-8-9-10-11-12-13-14-19-24(27)26-25-21-22-17-15-16-18-23(22)28-20-4-2/h4,15-18,21H,2-3,5-14,19-20H2,1H3,(H,26,27)/b25-21+
InChIKeyOLYBPVMRHQTOFD-NJNXFGOHSA-N
XLogP6.40
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.58
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(2-prop-2-enoxyphenyl)methylideneamino]pentanediamide
CID 3634510
N,N'-bis[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]butanediamide
CID 6003774
N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 51060625
2-(4-butoxyphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5081383
2-(4-butoxyphenoxy)-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 6265120
N-[(Z)-(2-ethoxyphenyl)methylideneamino]pentanamide
CID 5381098
4-(pentanoylamino)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 54788777
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]dodecanamide
CID 3536495
2-(2-methylphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 2251128
N-[(2-methylphenyl)methylideneamino]undecanamide
CID 4136077

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetradecanamide?
The IUPAC name of N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetradecanamide (CID 45054649) is N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetradecanamide.
What is the SMILES notation for N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetradecanamide?
The canonical SMILES for N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetradecanamide is C=CCOc1ccccc1/C=N/NC(=O)CCCCCCCCCCCCC.
What is the InChIKey of N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetradecanamide?
The InChIKey is OLYBPVMRHQTOFD-NJNXFGOHSA-N. The full InChI is InChI=1S/C24H38N2O2/c1-3-5-6-7-8-9-10-11-12-13-14-19-24(27)26-25-21-22-17-15-16-18-23(22)28-20-4-2/h4,15-18,21H,2-3,5-14,19-20H2,1H3,(H,26,27)/b25-21+.
What are the key properties of N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetradecanamide?
N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetradecanamide has a molecular weight of 386.58 g/mol, XLogP of 6.40, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetradecanamide is sourced from PubChem (CID 45054649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).