5-(aminomethyl)-N-octylfuran-2-carboxamide

C14H24N2O2 — CID 115567865

IUPAC5-(aminomethyl)-N-octylfuran-2-carboxamide
SMILESCCCCCCCCNC(=O)c1ccc(CN)o1
InChIInChI=1S/C14H24N2O2/c1-2-3-4-5-6-7-10-16-14(17)13-9-8-12(11-15)18-13/h8-9H,2-7,10-11,15H2,1H3,(H,16,17)
InChIKeyHYNPOVMVANLRTJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.83
Rot. Bonds9

About 5-(aminomethyl)-N-octylfuran-2-carboxamide

5-(aminomethyl)-N-octylfuran-2-carboxamide (PubChem CID 115567865) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-(aminomethyl)-N-octylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-octylfuran-2-carboxamide
PubChem CID115567865
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name5-(aminomethyl)-N-octylfuran-2-carboxamide
SMILESCCCCCCCCNC(=O)c1ccc(CN)o1
InChIInChI=1S/C14H24N2O2/c1-2-3-4-5-6-7-10-16-14(17)13-9-8-12(11-15)18-13/h8-9H,2-7,10-11,15H2,1H3,(H,16,17)
InChIKeyHYNPOVMVANLRTJ-UHFFFAOYSA-N
XLogP2.83
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-N-(3-propoxypropyl)furan-2-carboxamide
CID 82942250
N-(5-aminopentyl)-5-ethylfuran-2-carboxamide
CID 79094477
N-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414016
5-(aminomethyl)-N-(3-hydroxypentyl)furan-2-carboxamide
CID 115739064
4-(aminomethyl)-N-dodecylbenzamide
CID 67188292
5-[(3,5-dimethylphenoxy)methyl]-N-hexylfuran-2-carboxamide
CID 19463237
N-hexyl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19457206
benzyl-[(4-methoxyphenyl)methyl]-[[5-(pentylcarbamoyl)furan-2-yl]methyl]azanium
CID 7218719
5-ethyl-N-(3-iodopropyl)furan-2-carboxamide
CID 114504288
5-bromo-N-[3-(heptylamino)-3-oxopropyl]furan-2-carboxamide
CID 3670554
[5-(tetradecylcarbamoyl)furan-2-yl] methanesulfonate
CID 175419711
5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)furan-2-carboxamide
CID 103812551

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-octylfuran-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-octylfuran-2-carboxamide (CID 115567865) is 5-(aminomethyl)-N-octylfuran-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-octylfuran-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-octylfuran-2-carboxamide is CCCCCCCCNC(=O)c1ccc(CN)o1.
What is the InChIKey of 5-(aminomethyl)-N-octylfuran-2-carboxamide?
The InChIKey is HYNPOVMVANLRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-2-3-4-5-6-7-10-16-14(17)13-9-8-12(11-15)18-13/h8-9H,2-7,10-11,15H2,1H3,(H,16,17).
What are the key properties of 5-(aminomethyl)-N-octylfuran-2-carboxamide?
5-(aminomethyl)-N-octylfuran-2-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-octylfuran-2-carboxamide is sourced from PubChem (CID 115567865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).