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

C17H22N2O3 — CID 82344339

IUPAC5-amino-N-(4-hexoxyphenyl)furan-2-carboxamide
SMILESCCCCCCOc1ccc(NC(=O)c2ccc(N)o2)cc1
InChIInChI=1S/C17H22N2O3/c1-2-3-4-5-12-21-14-8-6-13(7-9-14)19-17(20)15-10-11-16(18)22-15/h6-11H,2-5,12,18H2,1H3,(H,19,20)
InChIKeyLDHFGYPYGRYELG-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.07
Rot. Bonds8

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

5-amino-N-(4-hexoxyphenyl)furan-2-carboxamide (PubChem CID 82344339) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 5-amino-N-(4-hexoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-hexoxyphenyl)furan-2-carboxamide
PubChem CID82344339
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name5-amino-N-(4-hexoxyphenyl)furan-2-carboxamide
SMILESCCCCCCOc1ccc(NC(=O)c2ccc(N)o2)cc1
InChIInChI=1S/C17H22N2O3/c1-2-3-4-5-12-21-14-8-6-13(7-9-14)19-17(20)15-10-11-16(18)22-15/h6-11H,2-5,12,18H2,1H3,(H,19,20)
InChIKeyLDHFGYPYGRYELG-UHFFFAOYSA-N
XLogP4.07
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(4-heptoxyphenyl)furan-2-carboxamide
CID 4951508
5-amino-N-(4-octylphenyl)furan-2-carboxamide
CID 142608726
5-amino-N-(4-butylphenyl)furan-2-carboxamide
CID 82344263
5-bromo-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide
CID 19225305
N-(4-acetamidophenyl)-5-aminofuran-2-carboxamide
CID 82344374
pentyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170775
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
3-(4-aminophenyl)-N-(4-hexoxyphenyl)propanamide
CID 54795325
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
5-ethyl-3-methyl-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide
CID 19241097
N-(4-hexoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 4939326
N-(4-decoxyphenyl)butanamide
CID 143303175

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-hexoxyphenyl)furan-2-carboxamide?
The IUPAC name of 5-amino-N-(4-hexoxyphenyl)furan-2-carboxamide (CID 82344339) is 5-amino-N-(4-hexoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-amino-N-(4-hexoxyphenyl)furan-2-carboxamide?
The canonical SMILES for 5-amino-N-(4-hexoxyphenyl)furan-2-carboxamide is CCCCCCOc1ccc(NC(=O)c2ccc(N)o2)cc1.
What is the InChIKey of 5-amino-N-(4-hexoxyphenyl)furan-2-carboxamide?
The InChIKey is LDHFGYPYGRYELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-2-3-4-5-12-21-14-8-6-13(7-9-14)19-17(20)15-10-11-16(18)22-15/h6-11H,2-5,12,18H2,1H3,(H,19,20).
What are the key properties of 5-amino-N-(4-hexoxyphenyl)furan-2-carboxamide?
5-amino-N-(4-hexoxyphenyl)furan-2-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-hexoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 82344339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).