4-(N-tetradecoxyanilino)benzaldehyde

C27H39NO2 — CID 174322421

IUPAC4-(N-tetradecoxyanilino)benzaldehyde
SMILESCCCCCCCCCCCCCCON(c1ccccc1)c1ccc(C=O)cc1
InChIInChI=1S/C27H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-23-30-28(26-17-14-13-15-18-26)27-21-19-25(24-29)20-22-27/h13-15,17-22,24H,2-12,16,23H2,1H3
InChIKeyJKWWNJAJNFSYSQ-UHFFFAOYSA-N
MW409.61 g/mol
LogP8.27
Rot. Bonds17

About 4-(N-tetradecoxyanilino)benzaldehyde

4-(N-tetradecoxyanilino)benzaldehyde (PubChem CID 174322421) has the molecular formula C27H39NO2 and a molecular weight of 409.61 g/mol. Its IUPAC name is 4-(N-tetradecoxyanilino)benzaldehyde.

Molecular Properties

Compound Name4-(N-tetradecoxyanilino)benzaldehyde
PubChem CID174322421
Molecular FormulaC27H39NO2
Molecular Weight409.61 g/mol
Exact Mass409.30
IUPAC Name4-(N-tetradecoxyanilino)benzaldehyde
SMILESCCCCCCCCCCCCCCON(c1ccccc1)c1ccc(C=O)cc1
InChIInChI=1S/C27H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-23-30-28(26-17-14-13-15-18-26)27-21-19-25(24-29)20-22-27/h13-15,17-22,24H,2-12,16,23H2,1H3
InChIKeyJKWWNJAJNFSYSQ-UHFFFAOYSA-N
XLogP8.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.61
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(N-tetradecoxyanilino)benzamide
CID 174322917
hexadecyl 4-formylbenzoate
CID 13404983
1-phenyl-1-tetradecoxyhydrazine
CID 151258188
4-icosoxybenzaldehyde
CID 23127488
N-dimethylsilyl-N-tetradecoxyaniline
CID 174478606
benzaldehyde;N-hexylhexan-1-amine
CID 87442359
4-(4-decoxyphenoxy)benzaldehyde
CID 22713263
ethanol;4-octadecoxybenzaldehyde
CID 158692714
2-(N-octoxyanilino)acetic acid
CID 54571565
4-[methyl(pentyl)amino]benzaldehyde
CID 43295080
4-(N-(4-formylphenyl)anilino)benzaldehyde;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;propane
CID 123717319
4-(dibutylamino)benzaldehyde
CID 605391

Frequently Asked Questions

What is the IUPAC name of 4-(N-tetradecoxyanilino)benzaldehyde?
The IUPAC name of 4-(N-tetradecoxyanilino)benzaldehyde (CID 174322421) is 4-(N-tetradecoxyanilino)benzaldehyde.
What is the SMILES notation for 4-(N-tetradecoxyanilino)benzaldehyde?
The canonical SMILES for 4-(N-tetradecoxyanilino)benzaldehyde is CCCCCCCCCCCCCCON(c1ccccc1)c1ccc(C=O)cc1.
What is the InChIKey of 4-(N-tetradecoxyanilino)benzaldehyde?
The InChIKey is JKWWNJAJNFSYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-23-30-28(26-17-14-13-15-18-26)27-21-19-25(24-29)20-22-27/h13-15,17-22,24H,2-12,16,23H2,1H3.
What are the key properties of 4-(N-tetradecoxyanilino)benzaldehyde?
4-(N-tetradecoxyanilino)benzaldehyde has a molecular weight of 409.61 g/mol, XLogP of 8.27, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-tetradecoxyanilino)benzaldehyde is sourced from PubChem (CID 174322421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).