2-[7-(hydroxyamino)-7-oxoheptyl]benzamide

C14H20N2O3 — CID 87127603

IUPAC2-[7-(hydroxyamino)-7-oxoheptyl]benzamide
SMILESNC(=O)c1ccccc1CCCCCCC(=O)NO
InChIInChI=1S/C14H20N2O3/c15-14(18)12-9-6-5-8-11(12)7-3-1-2-4-10-13(17)16-19/h5-6,8-9,19H,1-4,7,10H2,(H2,15,18)(H,16,17)
InChIKeyKYLBYHZJRCUALS-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.78
Rot. Bonds8

About 2-[7-(hydroxyamino)-7-oxoheptyl]benzamide

2-[7-(hydroxyamino)-7-oxoheptyl]benzamide (PubChem CID 87127603) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[7-(hydroxyamino)-7-oxoheptyl]benzamide.

Molecular Properties

Compound Name2-[7-(hydroxyamino)-7-oxoheptyl]benzamide
PubChem CID87127603
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[7-(hydroxyamino)-7-oxoheptyl]benzamide
SMILESNC(=O)c1ccccc1CCCCCCC(=O)NO
InChIInChI=1S/C14H20N2O3/c15-14(18)12-9-6-5-8-11(12)7-3-1-2-4-10-13(17)16-19/h5-6,8-9,19H,1-4,7,10H2,(H2,15,18)(H,16,17)
InChIKeyKYLBYHZJRCUALS-UHFFFAOYSA-N
XLogP1.78
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.78
H-Bond Donors ≤ 53
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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Related Compounds

2-octylbenzamide
CID 11148995
2-butylbenzamide
CID 15468173
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N-hydroxy-6-phenylhexanamide;thiohydroxylamine
CID 142086803
2-[3-[(2-bromoacetyl)amino]propyl]benzamide
CID 71433070
2-[4-(cinnolin-3-ylamino)-4-oxobutyl]benzamide
CID 173151841
N-[2-(aminomethyl)phenyl]-N'-hydroxyoctanediamide
CID 143322146
2-(17-carboxyheptadecyl)benzoic acid
CID 19770577
2-[2-(methylamino)ethyl]benzamide
CID 69094527
5-(2-bromophenyl)pentanehydrazide
CID 116843802
2-(4-aminooctyl)benzamide
CID 57359484
2-[2-(butanoylamino)ethyl]benzamide
CID 66868335

Frequently Asked Questions

What is the IUPAC name of 2-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The IUPAC name of 2-[7-(hydroxyamino)-7-oxoheptyl]benzamide (CID 87127603) is 2-[7-(hydroxyamino)-7-oxoheptyl]benzamide.
What is the SMILES notation for 2-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The canonical SMILES for 2-[7-(hydroxyamino)-7-oxoheptyl]benzamide is NC(=O)c1ccccc1CCCCCCC(=O)NO.
What is the InChIKey of 2-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The InChIKey is KYLBYHZJRCUALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-14(18)12-9-6-5-8-11(12)7-3-1-2-4-10-13(17)16-19/h5-6,8-9,19H,1-4,7,10H2,(H2,15,18)(H,16,17).
What are the key properties of 2-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
2-[7-(hydroxyamino)-7-oxoheptyl]benzamide has a molecular weight of 264.32 g/mol, XLogP of 1.78, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(hydroxyamino)-7-oxoheptyl]benzamide is sourced from PubChem (CID 87127603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).