[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl] acetate

C16H22N2O5 — CID 175537934

IUPAC[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl] acetate
SMILESCC(=O)Oc1ccc(NC(=O)CCCCCCC(=O)NO)cc1
InChIInChI=1S/C16H22N2O5/c1-12(19)23-14-10-8-13(9-11-14)17-15(20)6-4-2-3-5-7-16(21)18-22/h8-11,22H,2-7H2,1H3,(H,17,20)(H,18,21)
InChIKeyFUIONVRIKZZSPL-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.40
Rot. Bonds9

About [4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl] acetate

[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl] acetate (PubChem CID 175537934) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is [4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl] acetate.

Molecular Properties

Compound Name[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl] acetate
PubChem CID175537934
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl] acetate
SMILESCC(=O)Oc1ccc(NC(=O)CCCCCCC(=O)NO)cc1
InChIInChI=1S/C16H22N2O5/c1-12(19)23-14-10-8-13(9-11-14)17-15(20)6-4-2-3-5-7-16(21)18-22/h8-11,22H,2-7H2,1H3,(H,17,20)(H,18,21)
InChIKeyFUIONVRIKZZSPL-UHFFFAOYSA-N
XLogP2.40
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
N-[4-(diethylamino)phenyl]-N'-hydroxyoctanediamide
CID 166628013
N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide
CID 3351099
methyl 10-[4-[(10-methoxy-10-oxodecanoyl)amino]anilino]-10-oxodecanoate
CID 3310554
N'-hydroxy-N-[4-[4-(methylamino)-4-oxobutyl]phenyl]octanediamide
CID 126539842
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
11-bromo-N-(4-methoxyphenyl)undecanamide
CID 51058288
heptyl 2-[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]acetate
CID 155516196
6-(4-methoxyanilino)-6-oxohexanoic acid
CID 19422065
4-[2-[9-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-9-oxononanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119960
N-[4-[4-(methylamino)phenoxy]phenyl]-6-oxoheptanamide
CID 166048003

Frequently Asked Questions

What is the IUPAC name of [4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl] acetate?
The IUPAC name of [4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl] acetate (CID 175537934) is [4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl] acetate.
What is the SMILES notation for [4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl] acetate?
The canonical SMILES for [4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl] acetate is CC(=O)Oc1ccc(NC(=O)CCCCCCC(=O)NO)cc1.
What is the InChIKey of [4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl] acetate?
The InChIKey is FUIONVRIKZZSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-12(19)23-14-10-8-13(9-11-14)17-15(20)6-4-2-3-5-7-16(21)18-22/h8-11,22H,2-7H2,1H3,(H,17,20)(H,18,21).
What are the key properties of [4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl] acetate?
[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl] acetate has a molecular weight of 322.36 g/mol, XLogP of 2.40, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl] acetate is sourced from PubChem (CID 175537934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).