N-[2-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide

C20H33N3O3 — CID 5202997

IUPACN-[2-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(C)o1
InChIInChI=1S/C20H33N3O3/c1-3-4-5-6-7-8-9-10-11-12-19(24)21-16-20(25)23-22-15-18-14-13-17(2)26-18/h13-15H,3-12,16H2,1-2H3,(H,21,24)(H,23,25)
InChIKeyFWIYFYRSJICMHE-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.08
Rot. Bonds14

About N-[2-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide

N-[2-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide (PubChem CID 5202997) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-[2-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide.

Molecular Properties

Compound NameN-[2-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
PubChem CID5202997
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC NameN-[2-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(C)o1
InChIInChI=1S/C20H33N3O3/c1-3-4-5-6-7-8-9-10-11-12-19(24)21-16-20(25)23-22-15-18-14-13-17(2)26-18/h13-15H,3-12,16H2,1-2H3,(H,21,24)(H,23,25)
InChIKeyFWIYFYRSJICMHE-UHFFFAOYSA-N
XLogP4.08
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide?
The IUPAC name of N-[2-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide (CID 5202997) is N-[2-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide.
What is the SMILES notation for N-[2-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide?
The canonical SMILES for N-[2-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide is CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(C)o1.
What is the InChIKey of N-[2-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide?
The InChIKey is FWIYFYRSJICMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-3-4-5-6-7-8-9-10-11-12-19(24)21-16-20(25)23-22-15-18-14-13-17(2)26-18/h13-15H,3-12,16H2,1-2H3,(H,21,24)(H,23,25).
What are the key properties of N-[2-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide?
N-[2-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide has a molecular weight of 363.50 g/mol, XLogP of 4.08, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide is sourced from PubChem (CID 5202997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).