5-amino-N-(4-octylphenyl)furan-2-carboxamide

C19H26N2O2 — CID 142608726

IUPAC5-amino-N-(4-octylphenyl)furan-2-carboxamide
SMILESCCCCCCCCc1ccc(NC(=O)c2ccc(N)o2)cc1
InChIInChI=1S/C19H26N2O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)21-19(22)17-13-14-18(20)23-17/h9-14H,2-8,20H2,1H3,(H,21,22)
InChIKeyBQAABSYGQHDDFA-UHFFFAOYSA-N
MW314.43 g/mol
LogP5.02
Rot. Bonds9

About 5-amino-N-(4-octylphenyl)furan-2-carboxamide

5-amino-N-(4-octylphenyl)furan-2-carboxamide (PubChem CID 142608726) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 5-amino-N-(4-octylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-octylphenyl)furan-2-carboxamide
PubChem CID142608726
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name5-amino-N-(4-octylphenyl)furan-2-carboxamide
SMILESCCCCCCCCc1ccc(NC(=O)c2ccc(N)o2)cc1
InChIInChI=1S/C19H26N2O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)21-19(22)17-13-14-18(20)23-17/h9-14H,2-8,20H2,1H3,(H,21,22)
InChIKeyBQAABSYGQHDDFA-UHFFFAOYSA-N
XLogP5.02
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.02
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-amino-N-(4-butylphenyl)furan-2-carboxamide
CID 82344263
5-amino-N-(4-hexoxyphenyl)furan-2-carboxamide
CID 82344339
N-(4-acetamidophenyl)-5-aminofuran-2-carboxamide
CID 82344374
2-amino-N-(4-pentylphenyl)benzamide
CID 16768967
N'-(4-dodecylphenyl)oxamide
CID 118096540
N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594
N-(4-heptylphenyl)heptanamide
CID 101077737
3-amino-N-(4-heptylphenyl)-2-hydroxy-5-methylbenzamide
CID 142869631
N-(4-dodecylphenyl)-2-methylprop-2-enamide
CID 58819798
1-(4-heptylphenyl)-3-propylurea
CID 142021842
6-amino-N-(4-pentylphenyl)hexanamide
CID 61248961
N,N'-bis(4-butylphenyl)oxamide
CID 3438016

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-octylphenyl)furan-2-carboxamide?
The IUPAC name of 5-amino-N-(4-octylphenyl)furan-2-carboxamide (CID 142608726) is 5-amino-N-(4-octylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-amino-N-(4-octylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-amino-N-(4-octylphenyl)furan-2-carboxamide is CCCCCCCCc1ccc(NC(=O)c2ccc(N)o2)cc1.
What is the InChIKey of 5-amino-N-(4-octylphenyl)furan-2-carboxamide?
The InChIKey is BQAABSYGQHDDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)21-19(22)17-13-14-18(20)23-17/h9-14H,2-8,20H2,1H3,(H,21,22).
What are the key properties of 5-amino-N-(4-octylphenyl)furan-2-carboxamide?
5-amino-N-(4-octylphenyl)furan-2-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 5.02, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-octylphenyl)furan-2-carboxamide is sourced from PubChem (CID 142608726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).