N-[2-(tetracos-2-enoylamino)ethyl]tetracos-2-enamide

C50H96N2O2 — CID 91583847

IUPACN-[2-(tetracos-2-enoylamino)ethyl]tetracos-2-enamide
SMILESCCCCCCCCCCCCCCCCCCCCCC=CC(=O)NCCNC(=O)C=CCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C50H96N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-49(53)51-47-48-52-50(54)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43-46H,3-42,47-48H2,1-2H3,(H,51,53)(H,52,54)
InChIKeyNYLAFUBXMHRTEH-UHFFFAOYSA-N
MW757.33 g/mol
LogP15.98
Rot. Bonds45

About N-[2-(tetracos-2-enoylamino)ethyl]tetracos-2-enamide

N-[2-(tetracos-2-enoylamino)ethyl]tetracos-2-enamide (PubChem CID 91583847) has the molecular formula C50H96N2O2 and a molecular weight of 757.33 g/mol. Its IUPAC name is N-[2-(tetracos-2-enoylamino)ethyl]tetracos-2-enamide.

Molecular Properties

Compound NameN-[2-(tetracos-2-enoylamino)ethyl]tetracos-2-enamide
PubChem CID91583847
Molecular FormulaC50H96N2O2
Molecular Weight757.33 g/mol
Exact Mass756.75
IUPAC NameN-[2-(tetracos-2-enoylamino)ethyl]tetracos-2-enamide
SMILESCCCCCCCCCCCCCCCCCCCCCC=CC(=O)NCCNC(=O)C=CCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C50H96N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-49(53)51-47-48-52-50(54)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43-46H,3-42,47-48H2,1-2H3,(H,51,53)(H,52,54)
InChIKeyNYLAFUBXMHRTEH-UHFFFAOYSA-N
XLogP15.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds45
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.33
LogP ≤ 515.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tetracos-2-enoylamino)ethyl]tetracos-2-enamide?
The IUPAC name of N-[2-(tetracos-2-enoylamino)ethyl]tetracos-2-enamide (CID 91583847) is N-[2-(tetracos-2-enoylamino)ethyl]tetracos-2-enamide.
What is the SMILES notation for N-[2-(tetracos-2-enoylamino)ethyl]tetracos-2-enamide?
The canonical SMILES for N-[2-(tetracos-2-enoylamino)ethyl]tetracos-2-enamide is CCCCCCCCCCCCCCCCCCCCCC=CC(=O)NCCNC(=O)C=CCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of N-[2-(tetracos-2-enoylamino)ethyl]tetracos-2-enamide?
The InChIKey is NYLAFUBXMHRTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H96N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-49(53)51-47-48-52-50(54)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43-46H,3-42,47-48H2,1-2H3,(H,51,53)(H,52,54).
What are the key properties of N-[2-(tetracos-2-enoylamino)ethyl]tetracos-2-enamide?
N-[2-(tetracos-2-enoylamino)ethyl]tetracos-2-enamide has a molecular weight of 757.33 g/mol, XLogP of 15.98, 45 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tetracos-2-enoylamino)ethyl]tetracos-2-enamide is sourced from PubChem (CID 91583847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).