N-hydroxy-6-(2,2,7-trimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)hexanamide

C21H28N2O3 — CID 123844845

IUPACN-hydroxy-6-(2,2,7-trimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)hexanamide
SMILESCc1ccc2c3c(n(CCCCCC(=O)NO)c2c1)CC(C)(C)CC3=O
InChIInChI=1S/C21H28N2O3/c1-14-8-9-15-16(11-14)23(10-6-4-5-7-19(25)22-26)17-12-21(2,3)13-18(24)20(15)17/h8-9,11,26H,4-7,10,12-13H2,1-3H3,(H,22,25)
InChIKeyMSSFCXSTNFPLAS-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.17
Rot. Bonds6

About N-hydroxy-6-(2,2,7-trimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)hexanamide

N-hydroxy-6-(2,2,7-trimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)hexanamide (PubChem CID 123844845) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-hydroxy-6-(2,2,7-trimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)hexanamide.

Molecular Properties

Compound NameN-hydroxy-6-(2,2,7-trimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)hexanamide
PubChem CID123844845
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-hydroxy-6-(2,2,7-trimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)hexanamide
SMILESCc1ccc2c3c(n(CCCCCC(=O)NO)c2c1)CC(C)(C)CC3=O
InChIInChI=1S/C21H28N2O3/c1-14-8-9-15-16(11-14)23(10-6-4-5-7-19(25)22-26)17-12-21(2,3)13-18(24)20(15)17/h8-9,11,26H,4-7,10,12-13H2,1-3H3,(H,22,25)
InChIKeyMSSFCXSTNFPLAS-UHFFFAOYSA-N
XLogP4.17
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.17
H-Bond Donors ≤ 52
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-hydroxy-6-(2,2,7-trimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)hexanamide?
The IUPAC name of N-hydroxy-6-(2,2,7-trimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)hexanamide (CID 123844845) is N-hydroxy-6-(2,2,7-trimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)hexanamide.
What is the SMILES notation for N-hydroxy-6-(2,2,7-trimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)hexanamide?
The canonical SMILES for N-hydroxy-6-(2,2,7-trimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)hexanamide is Cc1ccc2c3c(n(CCCCCC(=O)NO)c2c1)CC(C)(C)CC3=O.
What is the InChIKey of N-hydroxy-6-(2,2,7-trimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)hexanamide?
The InChIKey is MSSFCXSTNFPLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-14-8-9-15-16(11-14)23(10-6-4-5-7-19(25)22-26)17-12-21(2,3)13-18(24)20(15)17/h8-9,11,26H,4-7,10,12-13H2,1-3H3,(H,22,25).
What are the key properties of N-hydroxy-6-(2,2,7-trimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)hexanamide?
N-hydroxy-6-(2,2,7-trimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)hexanamide has a molecular weight of 356.47 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-(2,2,7-trimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)hexanamide is sourced from PubChem (CID 123844845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).