(ethylideneamino) tetradecanoate

C16H31NO2 — CID 57011999

IUPAC(ethylideneamino) tetradecanoate
SMILESCC=NOC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C16H31NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(18)19-17-4-2/h4H,3,5-15H2,1-2H3
InChIKeyFOQXYLXFKMJNIJ-UHFFFAOYSA-N
MW269.43 g/mol
LogP5.24
Rot. Bonds13

About (ethylideneamino) tetradecanoate

(ethylideneamino) tetradecanoate (PubChem CID 57011999) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is (ethylideneamino) tetradecanoate.

Molecular Properties

Compound Name(ethylideneamino) tetradecanoate
PubChem CID57011999
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name(ethylideneamino) tetradecanoate
SMILESCC=NOC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C16H31NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(18)19-17-4-2/h4H,3,5-15H2,1-2H3
InChIKeyFOQXYLXFKMJNIJ-UHFFFAOYSA-N
XLogP5.24
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.43
LogP ≤ 55.24
H-Bond Donors ≤ 50
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': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(octan-2-ylideneamino) hexanoate
CID 142734724
butanoyl octaneperoxoate
CID 155389347
heptadecanoyl heptadecaneperoxoate
CID 53438513
henicosanoyl docosanoate
CID 175302110
pentadecanoyl hexadecanoate
CID 87499774
ditetradecanoyl hexanedioate
CID 175560209
heptanoyl octaneperoxoate
CID 142686679
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
octanoyl tridecaneperoxoate
CID 141014591
butaneperoxoic acid;octadecaneperoxoic acid
CID 175012796
prop-1-enyl dodecanoate
CID 87388098

Frequently Asked Questions

What is the IUPAC name of (ethylideneamino) tetradecanoate?
The IUPAC name of (ethylideneamino) tetradecanoate (CID 57011999) is (ethylideneamino) tetradecanoate.
What is the SMILES notation for (ethylideneamino) tetradecanoate?
The canonical SMILES for (ethylideneamino) tetradecanoate is CC=NOC(=O)CCCCCCCCCCCCC.
What is the InChIKey of (ethylideneamino) tetradecanoate?
The InChIKey is FOQXYLXFKMJNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(18)19-17-4-2/h4H,3,5-15H2,1-2H3.
What are the key properties of (ethylideneamino) tetradecanoate?
(ethylideneamino) tetradecanoate has a molecular weight of 269.43 g/mol, XLogP of 5.24, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (ethylideneamino) tetradecanoate is sourced from PubChem (CID 57011999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).