N'-hydroxy-2-methoxy-N-phenyloctanediamide

C15H22N2O4 — CID 25065930

IUPACN'-hydroxy-2-methoxy-N-phenyloctanediamide
SMILESCOC(CCCCCC(=O)NO)C(=O)Nc1ccccc1
InChIInChI=1S/C15H22N2O4/c1-21-13(10-6-3-7-11-14(18)17-20)15(19)16-12-8-4-2-5-9-12/h2,4-5,8-9,13,20H,3,6-7,10-11H2,1H3,(H,16,19)(H,17,18)
InChIKeyJHNWNLJPMOWGAH-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.10
Rot. Bonds9

About N'-hydroxy-2-methoxy-N-phenyloctanediamide

N'-hydroxy-2-methoxy-N-phenyloctanediamide (PubChem CID 25065930) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N'-hydroxy-2-methoxy-N-phenyloctanediamide.

Molecular Properties

Compound NameN'-hydroxy-2-methoxy-N-phenyloctanediamide
PubChem CID25065930
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN'-hydroxy-2-methoxy-N-phenyloctanediamide
SMILESCOC(CCCCCC(=O)NO)C(=O)Nc1ccccc1
InChIInChI=1S/C15H22N2O4/c1-21-13(10-6-3-7-11-14(18)17-20)15(19)16-12-8-4-2-5-9-12/h2,4-5,8-9,13,20H,3,6-7,10-11H2,1H3,(H,16,19)(H,17,18)
InChIKeyJHNWNLJPMOWGAH-UHFFFAOYSA-N
XLogP2.10
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.10
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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Related Compounds

methyl 9-anilino-8-methoxy-9-oxononanoate
CID 59316213
N'-hydroxy-N-phenyl-2-prop-2-enoxyoctanediamide;methyl 8-anilino-8-oxo-7-prop-2-enoxyoctanoate
CID 159093312
N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenylnonanediamide
CID 25066354
N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenylheptanediamide
CID 25065926
2-amino-N'-hydroxy-N-phenyloctanediamide
CID 89108892
(2R)-2-methoxy-N-phenylpentanamide
CID 70193042
(2S)-2-benzamido-N'-hydroxy-N-phenylheptanediamide
CID 131854526
N-hydroxy-2-(2-methylprop-2-enoxy)-N'-phenylheptanediamide
CID 174602137
2-(cyclohexanecarbonylamino)-N'-hydroxy-N-phenyloctanediamide
CID 23557292
(2S)-2-[(4-tert-butylphenyl)carbamoylamino]-N'-hydroxy-N-phenyloctanediamide
CID 11676844
2-(1-aminoethylidenecarbamothioyl)-N'-hydroxy-N-phenyloctanediamide
CID 143658232
methyl (2S)-2-amino-8-anilino-8-oxooctanoate
CID 140522096

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methoxy-N-phenyloctanediamide?
The IUPAC name of N'-hydroxy-2-methoxy-N-phenyloctanediamide (CID 25065930) is N'-hydroxy-2-methoxy-N-phenyloctanediamide.
What is the SMILES notation for N'-hydroxy-2-methoxy-N-phenyloctanediamide?
The canonical SMILES for N'-hydroxy-2-methoxy-N-phenyloctanediamide is COC(CCCCCC(=O)NO)C(=O)Nc1ccccc1.
What is the InChIKey of N'-hydroxy-2-methoxy-N-phenyloctanediamide?
The InChIKey is JHNWNLJPMOWGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-21-13(10-6-3-7-11-14(18)17-20)15(19)16-12-8-4-2-5-9-12/h2,4-5,8-9,13,20H,3,6-7,10-11H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N'-hydroxy-2-methoxy-N-phenyloctanediamide?
N'-hydroxy-2-methoxy-N-phenyloctanediamide has a molecular weight of 294.35 g/mol, XLogP of 2.10, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methoxy-N-phenyloctanediamide is sourced from PubChem (CID 25065930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).