N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]furan-2-carboxamide

C26H27N3O4 — CID 58074304

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]furan-2-carboxamide
SMILESO=C(CCCCCCN(C(=O)c1ccco1)c1ccc(-c2ccc3cc[nH]c3c2)cc1)NO
InChIInChI=1S/C26H27N3O4/c30-25(28-32)7-3-1-2-4-16-29(26(31)24-6-5-17-33-24)22-12-10-19(11-13-22)21-9-8-20-14-15-27-23(20)18-21/h5-6,8-15,17-18,27,32H,1-4,7,16H2,(H,28,30)
InChIKeyOORGISPMEHORFL-UHFFFAOYSA-N
MW445.52 g/mol
LogP5.53
Rot. Bonds10

About N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]furan-2-carboxamide

N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]furan-2-carboxamide (PubChem CID 58074304) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]furan-2-carboxamide
PubChem CID58074304
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]furan-2-carboxamide
SMILESO=C(CCCCCCN(C(=O)c1ccco1)c1ccc(-c2ccc3cc[nH]c3c2)cc1)NO
InChIInChI=1S/C26H27N3O4/c30-25(28-32)7-3-1-2-4-16-29(26(31)24-6-5-17-33-24)22-12-10-19(11-13-22)21-9-8-20-14-15-27-23(20)18-21/h5-6,8-15,17-18,27,32H,1-4,7,16H2,(H,28,30)
InChIKeyOORGISPMEHORFL-UHFFFAOYSA-N
XLogP5.53
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 55.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]furan-2-carboxamide (CID 58074304) is N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]furan-2-carboxamide is O=C(CCCCCCN(C(=O)c1ccco1)c1ccc(-c2ccc3cc[nH]c3c2)cc1)NO.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]furan-2-carboxamide?
The InChIKey is OORGISPMEHORFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c30-25(28-32)7-3-1-2-4-16-29(26(31)24-6-5-17-33-24)22-12-10-19(11-13-22)21-9-8-20-14-15-27-23(20)18-21/h5-6,8-15,17-18,27,32H,1-4,7,16H2,(H,28,30).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]furan-2-carboxamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]furan-2-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 5.53, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 58074304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).