N-hydroxy-8-(6-methylnaphthalen-2-yl)-8-oxooctanamide

C19H23NO3 — CID 58982186

IUPACN-hydroxy-8-(6-methylnaphthalen-2-yl)-8-oxooctanamide
SMILESCc1ccc2cc(C(=O)CCCCCCC(=O)NO)ccc2c1
InChIInChI=1S/C19H23NO3/c1-14-8-9-16-13-17(11-10-15(16)12-14)18(21)6-4-2-3-5-7-19(22)20-23/h8-13,23H,2-7H2,1H3,(H,20,22)
InChIKeyMXNBNIOKSCLVOS-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.18
Rot. Bonds8

About N-hydroxy-8-(6-methylnaphthalen-2-yl)-8-oxooctanamide

N-hydroxy-8-(6-methylnaphthalen-2-yl)-8-oxooctanamide (PubChem CID 58982186) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-hydroxy-8-(6-methylnaphthalen-2-yl)-8-oxooctanamide.

Molecular Properties

Compound NameN-hydroxy-8-(6-methylnaphthalen-2-yl)-8-oxooctanamide
PubChem CID58982186
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-hydroxy-8-(6-methylnaphthalen-2-yl)-8-oxooctanamide
SMILESCc1ccc2cc(C(=O)CCCCCCC(=O)NO)ccc2c1
InChIInChI=1S/C19H23NO3/c1-14-8-9-16-13-17(11-10-15(16)12-14)18(21)6-4-2-3-5-7-19(22)20-23/h8-13,23H,2-7H2,1H3,(H,20,22)
InChIKeyMXNBNIOKSCLVOS-UHFFFAOYSA-N
XLogP4.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-8-(6-methylnaphthalen-2-yl)-8-oxooctanamide?
The IUPAC name of N-hydroxy-8-(6-methylnaphthalen-2-yl)-8-oxooctanamide (CID 58982186) is N-hydroxy-8-(6-methylnaphthalen-2-yl)-8-oxooctanamide.
What is the SMILES notation for N-hydroxy-8-(6-methylnaphthalen-2-yl)-8-oxooctanamide?
The canonical SMILES for N-hydroxy-8-(6-methylnaphthalen-2-yl)-8-oxooctanamide is Cc1ccc2cc(C(=O)CCCCCCC(=O)NO)ccc2c1.
What is the InChIKey of N-hydroxy-8-(6-methylnaphthalen-2-yl)-8-oxooctanamide?
The InChIKey is MXNBNIOKSCLVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14-8-9-16-13-17(11-10-15(16)12-14)18(21)6-4-2-3-5-7-19(22)20-23/h8-13,23H,2-7H2,1H3,(H,20,22).
What are the key properties of N-hydroxy-8-(6-methylnaphthalen-2-yl)-8-oxooctanamide?
N-hydroxy-8-(6-methylnaphthalen-2-yl)-8-oxooctanamide has a molecular weight of 313.40 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-8-(6-methylnaphthalen-2-yl)-8-oxooctanamide is sourced from PubChem (CID 58982186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).