N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide

C22H36N2O2 — CID 6322467

IUPACN-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide
SMILESCCCCCCCOc1ccc(/C=N\NC(=O)CCCCCCC)cc1
InChIInChI=1S/C22H36N2O2/c1-3-5-7-9-11-13-22(25)24-23-19-20-14-16-21(17-15-20)26-18-12-10-8-6-4-2/h14-17,19H,3-13,18H2,1-2H3,(H,24,25)/b23-19-
InChIKeyRVLSTJJVSQGIFV-NMWGTECJSA-N
MW360.54 g/mol
LogP5.85
Rot. Bonds15

About N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide

N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide (PubChem CID 6322467) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide.

Molecular Properties

Compound NameN-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide
PubChem CID6322467
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC NameN-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide
SMILESCCCCCCCOc1ccc(/C=N\NC(=O)CCCCCCC)cc1
InChIInChI=1S/C22H36N2O2/c1-3-5-7-9-11-13-22(25)24-23-19-20-14-16-21(17-15-20)26-18-12-10-8-6-4-2/h14-17,19H,3-13,18H2,1-2H3,(H,24,25)/b23-19-
InChIKeyRVLSTJJVSQGIFV-NMWGTECJSA-N
XLogP5.85
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.54
LogP ≤ 55.85
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(4-pentoxyphenyl)methylideneamino]dodecanamide
CID 6176857
N-[(4-butoxyphenyl)methylideneamino]dodecanamide
CID 3705573
N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide
CID 98296453
N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]hexadecanamide
CID 51061289
N-[(4-methoxyphenyl)methylideneamino]nonanamide
CID 4175341
[(E)-(4-heptoxyphenyl)methylideneamino]urea
CID 14915218
N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide
CID 9074224
2-(4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
CID 19190683
N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 3861652
2-(4-chlorophenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
CID 19190680
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide
CID 6302563
[(E)-(4-pentoxyphenyl)methylideneamino]urea
CID 6909458

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide?
The IUPAC name of N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide (CID 6322467) is N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide.
What is the SMILES notation for N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide?
The canonical SMILES for N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide is CCCCCCCOc1ccc(/C=N\NC(=O)CCCCCCC)cc1.
What is the InChIKey of N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide?
The InChIKey is RVLSTJJVSQGIFV-NMWGTECJSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-3-5-7-9-11-13-22(25)24-23-19-20-14-16-21(17-15-20)26-18-12-10-8-6-4-2/h14-17,19H,3-13,18H2,1-2H3,(H,24,25)/b23-19-.
What are the key properties of N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide?
N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide has a molecular weight of 360.54 g/mol, XLogP of 5.85, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide is sourced from PubChem (CID 6322467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).