5-(methoxymethyl)-N-(7-methyloctyl)furan-2-carboxamide

C16H27NO3 — CID 78847305

IUPAC5-(methoxymethyl)-N-(7-methyloctyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NCCCCCCC(C)C)o1
InChIInChI=1S/C16H27NO3/c1-13(2)8-6-4-5-7-11-17-16(18)15-10-9-14(20-15)12-19-3/h9-10,13H,4-8,11-12H2,1-3H3,(H,17,18)
InChIKeyYUOTWIQULIBLQL-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.76
Rot. Bonds10

About 5-(methoxymethyl)-N-(7-methyloctyl)furan-2-carboxamide

5-(methoxymethyl)-N-(7-methyloctyl)furan-2-carboxamide (PubChem CID 78847305) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-(7-methyloctyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-(7-methyloctyl)furan-2-carboxamide
PubChem CID78847305
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name5-(methoxymethyl)-N-(7-methyloctyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NCCCCCCC(C)C)o1
InChIInChI=1S/C16H27NO3/c1-13(2)8-6-4-5-7-11-17-16(18)15-10-9-14(20-15)12-19-3/h9-10,13H,4-8,11-12H2,1-3H3,(H,17,18)
InChIKeyYUOTWIQULIBLQL-UHFFFAOYSA-N
XLogP3.76
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(methoxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide
CID 78827233
5-(methoxymethyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500596
N-[2-(2-methoxyethoxy)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78874120
N-[2-(ethylamino)ethyl]-5-(methoxymethyl)furan-2-carboxamide;hydrochloride
CID 119505332
5-(methoxymethyl)-N-[3-(N-methylanilino)propyl]furan-2-carboxamide
CID 78833523
N-[(2R)-2-(ethylamino)propyl]-5-(methoxymethyl)furan-2-carboxamide
CID 120650443
5-(methoxymethyl)-N-methyl-N-(3-methylbutyl)furan-2-carboxamide
CID 78853341
N-ethyl-5-(methoxymethyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 86926941
N-[3-(N-ethylanilino)propyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78840867
N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(methoxymethyl)furan-2-carboxamide
CID 111434009
5-(methoxymethyl)-N-[2-oxo-2-(propylamino)ethyl]furan-2-carboxamide
CID 78827647
N-(1-amino-4-methylpentan-2-yl)-5-(methoxymethyl)furan-2-carboxamide;hydrochloride
CID 119585925

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-(7-methyloctyl)furan-2-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-(7-methyloctyl)furan-2-carboxamide (CID 78847305) is 5-(methoxymethyl)-N-(7-methyloctyl)furan-2-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-(7-methyloctyl)furan-2-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-(7-methyloctyl)furan-2-carboxamide is COCc1ccc(C(=O)NCCCCCCC(C)C)o1.
What is the InChIKey of 5-(methoxymethyl)-N-(7-methyloctyl)furan-2-carboxamide?
The InChIKey is YUOTWIQULIBLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-13(2)8-6-4-5-7-11-17-16(18)15-10-9-14(20-15)12-19-3/h9-10,13H,4-8,11-12H2,1-3H3,(H,17,18).
What are the key properties of 5-(methoxymethyl)-N-(7-methyloctyl)furan-2-carboxamide?
5-(methoxymethyl)-N-(7-methyloctyl)furan-2-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 3.76, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-(7-methyloctyl)furan-2-carboxamide is sourced from PubChem (CID 78847305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).