N-hydroxy-7,7-bis(1H-indol-3-yl)heptanamide

C23H25N3O2 — CID 11993691

IUPACN-hydroxy-7,7-bis(1H-indol-3-yl)heptanamide
SMILESO=C(CCCCCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12)NO
InChIInChI=1S/C23H25N3O2/c27-23(26-28)13-3-1-2-8-16(19-14-24-21-11-6-4-9-17(19)21)20-15-25-22-12-7-5-10-18(20)22/h4-7,9-12,14-16,24-25,28H,1-3,8,13H2,(H,26,27)
InChIKeyZWBFOQJCRGCPED-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.24
Rot. Bonds8

About N-hydroxy-7,7-bis(1H-indol-3-yl)heptanamide

N-hydroxy-7,7-bis(1H-indol-3-yl)heptanamide (PubChem CID 11993691) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-hydroxy-7,7-bis(1H-indol-3-yl)heptanamide.

Molecular Properties

Compound NameN-hydroxy-7,7-bis(1H-indol-3-yl)heptanamide
PubChem CID11993691
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-hydroxy-7,7-bis(1H-indol-3-yl)heptanamide
SMILESO=C(CCCCCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12)NO
InChIInChI=1S/C23H25N3O2/c27-23(26-28)13-3-1-2-8-16(19-14-24-21-11-6-4-9-17(19)21)20-15-25-22-12-7-5-10-18(20)22/h4-7,9-12,14-16,24-25,28H,1-3,8,13H2,(H,26,27)
InChIKeyZWBFOQJCRGCPED-UHFFFAOYSA-N
XLogP5.24
TPSA80.91 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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-hydroxy-7,7-bis(1H-indol-3-yl)heptanamide?
The IUPAC name of N-hydroxy-7,7-bis(1H-indol-3-yl)heptanamide (CID 11993691) is N-hydroxy-7,7-bis(1H-indol-3-yl)heptanamide.
What is the SMILES notation for N-hydroxy-7,7-bis(1H-indol-3-yl)heptanamide?
The canonical SMILES for N-hydroxy-7,7-bis(1H-indol-3-yl)heptanamide is O=C(CCCCCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12)NO.
What is the InChIKey of N-hydroxy-7,7-bis(1H-indol-3-yl)heptanamide?
The InChIKey is ZWBFOQJCRGCPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-23(26-28)13-3-1-2-8-16(19-14-24-21-11-6-4-9-17(19)21)20-15-25-22-12-7-5-10-18(20)22/h4-7,9-12,14-16,24-25,28H,1-3,8,13H2,(H,26,27).
What are the key properties of N-hydroxy-7,7-bis(1H-indol-3-yl)heptanamide?
N-hydroxy-7,7-bis(1H-indol-3-yl)heptanamide has a molecular weight of 375.47 g/mol, XLogP of 5.24, 8 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7,7-bis(1H-indol-3-yl)heptanamide is sourced from PubChem (CID 11993691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).