N-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-oxooctanamide

C16H23NO5 — CID 145473731

IUPACN-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-oxooctanamide
SMILESCOc1ccc(COC(C=O)CCCCCC(=O)NO)cc1
InChIInChI=1S/C16H23NO5/c1-21-14-9-7-13(8-10-14)12-22-15(11-18)5-3-2-4-6-16(19)17-20/h7-11,15,20H,2-6,12H2,1H3,(H,17,19)
InChIKeyGZFDKUMKYDLWHM-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.24
Rot. Bonds11

About N-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-oxooctanamide

N-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-oxooctanamide (PubChem CID 145473731) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is N-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-oxooctanamide.

Molecular Properties

Compound NameN-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-oxooctanamide
PubChem CID145473731
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC NameN-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-oxooctanamide
SMILESCOc1ccc(COC(C=O)CCCCCC(=O)NO)cc1
InChIInChI=1S/C16H23NO5/c1-21-14-9-7-13(8-10-14)12-22-15(11-18)5-3-2-4-6-16(19)17-20/h7-11,15,20H,2-6,12H2,1H3,(H,17,19)
InChIKeyGZFDKUMKYDLWHM-UHFFFAOYSA-N
XLogP2.24
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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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Related Compounds

N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenylnonanediamide
CID 25066354
N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenylheptanediamide
CID 25065926
N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide
CID 71661021
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800
(5R)-5-[(4-methoxyphenyl)methoxy]hept-6-enal
CID 71665399
(2R)-2-[(4-methoxyphenyl)methoxy]propanal
CID 11138009
(2S)-2-amino-8-[(4-methoxyphenyl)methoxy]-8-oxooctanoic acid
CID 153255398
(2S,3S)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 11118487
N-formyl-5-(4-methoxyphenyl)pentanamide
CID 164557203
methyl (7S)-8-anilino-7-[(4-methoxyphenyl)methoxy]-8-oxooctanoate
CID 68698621
1-N',9-N'-bis[2-(4-methoxyphenoxy)acetyl]nonanedihydrazide
CID 3303798
methyl (13R,14S)-13-[(4-methoxyphenyl)methoxy]-14-methylhexadec-9-enoate
CID 156768302

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-oxooctanamide?
The IUPAC name of N-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-oxooctanamide (CID 145473731) is N-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-oxooctanamide.
What is the SMILES notation for N-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-oxooctanamide?
The canonical SMILES for N-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-oxooctanamide is COc1ccc(COC(C=O)CCCCCC(=O)NO)cc1.
What is the InChIKey of N-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-oxooctanamide?
The InChIKey is GZFDKUMKYDLWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-21-14-9-7-13(8-10-14)12-22-15(11-18)5-3-2-4-6-16(19)17-20/h7-11,15,20H,2-6,12H2,1H3,(H,17,19).
What are the key properties of N-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-oxooctanamide?
N-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-oxooctanamide has a molecular weight of 309.36 g/mol, XLogP of 2.24, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-oxooctanamide is sourced from PubChem (CID 145473731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).