4-(4-chlorophenyl)-N-[5-(hydroxyamino)-1-(methoxymethoxy)-5-oxopentan-2-yl]-N-methylbenzamide

C21H25ClN2O5 — CID 22093883

IUPAC4-(4-chlorophenyl)-N-[5-(hydroxyamino)-1-(methoxymethoxy)-5-oxopentan-2-yl]-N-methylbenzamide
SMILESCOCOCC(CCC(=O)NO)N(C)C(=O)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H25ClN2O5/c1-24(19(13-29-14-28-2)11-12-20(25)23-27)21(26)17-5-3-15(4-6-17)16-7-9-18(22)10-8-16/h3-10,19,27H,11-14H2,1-2H3,(H,23,25)
InChIKeyCEZHOXTWASPKCO-UHFFFAOYSA-N
MW420.89 g/mol
LogP3.35
Rot. Bonds10

About 4-(4-chlorophenyl)-N-[5-(hydroxyamino)-1-(methoxymethoxy)-5-oxopentan-2-yl]-N-methylbenzamide

4-(4-chlorophenyl)-N-[5-(hydroxyamino)-1-(methoxymethoxy)-5-oxopentan-2-yl]-N-methylbenzamide (PubChem CID 22093883) has the molecular formula C21H25ClN2O5 and a molecular weight of 420.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[5-(hydroxyamino)-1-(methoxymethoxy)-5-oxopentan-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[5-(hydroxyamino)-1-(methoxymethoxy)-5-oxopentan-2-yl]-N-methylbenzamide
PubChem CID22093883
Molecular FormulaC21H25ClN2O5
Molecular Weight420.89 g/mol
Exact Mass420.15
IUPAC Name4-(4-chlorophenyl)-N-[5-(hydroxyamino)-1-(methoxymethoxy)-5-oxopentan-2-yl]-N-methylbenzamide
SMILESCOCOCC(CCC(=O)NO)N(C)C(=O)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H25ClN2O5/c1-24(19(13-29-14-28-2)11-12-20(25)23-27)21(26)17-5-3-15(4-6-17)16-7-9-18(22)10-8-16/h3-10,19,27H,11-14H2,1-2H3,(H,23,25)
InChIKeyCEZHOXTWASPKCO-UHFFFAOYSA-N
XLogP3.35
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.89
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 4-(4-chlorophenyl)-N-[5-(hydroxyamino)-1-(methoxymethoxy)-5-oxopentan-2-yl]-N-methylbenzamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[5-(hydroxyamino)-1-(methoxymethoxy)-5-oxopentan-2-yl]-N-methylbenzamide (CID 22093883) is 4-(4-chlorophenyl)-N-[5-(hydroxyamino)-1-(methoxymethoxy)-5-oxopentan-2-yl]-N-methylbenzamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[5-(hydroxyamino)-1-(methoxymethoxy)-5-oxopentan-2-yl]-N-methylbenzamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[5-(hydroxyamino)-1-(methoxymethoxy)-5-oxopentan-2-yl]-N-methylbenzamide is COCOCC(CCC(=O)NO)N(C)C(=O)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[5-(hydroxyamino)-1-(methoxymethoxy)-5-oxopentan-2-yl]-N-methylbenzamide?
The InChIKey is CEZHOXTWASPKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O5/c1-24(19(13-29-14-28-2)11-12-20(25)23-27)21(26)17-5-3-15(4-6-17)16-7-9-18(22)10-8-16/h3-10,19,27H,11-14H2,1-2H3,(H,23,25).
What are the key properties of 4-(4-chlorophenyl)-N-[5-(hydroxyamino)-1-(methoxymethoxy)-5-oxopentan-2-yl]-N-methylbenzamide?
4-(4-chlorophenyl)-N-[5-(hydroxyamino)-1-(methoxymethoxy)-5-oxopentan-2-yl]-N-methylbenzamide has a molecular weight of 420.89 g/mol, XLogP of 3.35, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[5-(hydroxyamino)-1-(methoxymethoxy)-5-oxopentan-2-yl]-N-methylbenzamide is sourced from PubChem (CID 22093883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).