N-[6-(hydroxyamino)-6-oxohexoxy]-3,5-dimethylbenzamide

C15H22N2O4 — CID 71520717

IUPACN-[6-(hydroxyamino)-6-oxohexoxy]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NOCCCCCC(=O)NO)c1
InChIInChI=1S/C15H22N2O4/c1-11-8-12(2)10-13(9-11)15(19)17-21-7-5-3-4-6-14(18)16-20/h8-10,20H,3-7H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyVRYZCEONIWEUAV-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.03
Rot. Bonds8

About N-[6-(hydroxyamino)-6-oxohexoxy]-3,5-dimethylbenzamide

N-[6-(hydroxyamino)-6-oxohexoxy]-3,5-dimethylbenzamide (PubChem CID 71520717) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[6-(hydroxyamino)-6-oxohexoxy]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[6-(hydroxyamino)-6-oxohexoxy]-3,5-dimethylbenzamide
PubChem CID71520717
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-[6-(hydroxyamino)-6-oxohexoxy]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NOCCCCCC(=O)NO)c1
InChIInChI=1S/C15H22N2O4/c1-11-8-12(2)10-13(9-11)15(19)17-21-7-5-3-4-6-14(18)16-20/h8-10,20H,3-7H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyVRYZCEONIWEUAV-UHFFFAOYSA-N
XLogP2.03
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.03
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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Frequently Asked Questions

What is the IUPAC name of N-[6-(hydroxyamino)-6-oxohexoxy]-3,5-dimethylbenzamide?
The IUPAC name of N-[6-(hydroxyamino)-6-oxohexoxy]-3,5-dimethylbenzamide (CID 71520717) is N-[6-(hydroxyamino)-6-oxohexoxy]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[6-(hydroxyamino)-6-oxohexoxy]-3,5-dimethylbenzamide?
The canonical SMILES for N-[6-(hydroxyamino)-6-oxohexoxy]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NOCCCCCC(=O)NO)c1.
What is the InChIKey of N-[6-(hydroxyamino)-6-oxohexoxy]-3,5-dimethylbenzamide?
The InChIKey is VRYZCEONIWEUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11-8-12(2)10-13(9-11)15(19)17-21-7-5-3-4-6-14(18)16-20/h8-10,20H,3-7H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-[6-(hydroxyamino)-6-oxohexoxy]-3,5-dimethylbenzamide?
N-[6-(hydroxyamino)-6-oxohexoxy]-3,5-dimethylbenzamide has a molecular weight of 294.35 g/mol, XLogP of 2.03, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(hydroxyamino)-6-oxohexoxy]-3,5-dimethylbenzamide is sourced from PubChem (CID 71520717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).