4-(1-benzofuran-2-yl)-N-[(2S,4S)-5-(hydroxyamino)-1-(methoxymethoxy)-4-methyl-5-oxopentan-2-yl]benzamide

C23H26N2O6 — CID 59901643

IUPAC4-(1-benzofuran-2-yl)-N-[(2S,4S)-5-(hydroxyamino)-1-(methoxymethoxy)-4-methyl-5-oxopentan-2-yl]benzamide
SMILESCOCOC[C@H](C[C@H](C)C(=O)NO)NC(=O)c1ccc(-c2cc3ccccc3o2)cc1
InChIInChI=1S/C23H26N2O6/c1-15(22(26)25-28)11-19(13-30-14-29-2)24-23(27)17-9-7-16(8-10-17)21-12-18-5-3-4-6-20(18)31-21/h3-10,12,15,19,28H,11,13-14H2,1-2H3,(H,24,27)(H,25,26)/t15-,19-/m0/s1
InChIKeyPDVMGZNFDRXTHL-KXBFYZLASA-N
MW426.47 g/mol
LogP3.35
Rot. Bonds10

About 4-(1-benzofuran-2-yl)-N-[(2S,4S)-5-(hydroxyamino)-1-(methoxymethoxy)-4-methyl-5-oxopentan-2-yl]benzamide

4-(1-benzofuran-2-yl)-N-[(2S,4S)-5-(hydroxyamino)-1-(methoxymethoxy)-4-methyl-5-oxopentan-2-yl]benzamide (PubChem CID 59901643) has the molecular formula C23H26N2O6 and a molecular weight of 426.47 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-N-[(2S,4S)-5-(hydroxyamino)-1-(methoxymethoxy)-4-methyl-5-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-N-[(2S,4S)-5-(hydroxyamino)-1-(methoxymethoxy)-4-methyl-5-oxopentan-2-yl]benzamide
PubChem CID59901643
Molecular FormulaC23H26N2O6
Molecular Weight426.47 g/mol
Exact Mass426.18
IUPAC Name4-(1-benzofuran-2-yl)-N-[(2S,4S)-5-(hydroxyamino)-1-(methoxymethoxy)-4-methyl-5-oxopentan-2-yl]benzamide
SMILESCOCOC[C@H](C[C@H](C)C(=O)NO)NC(=O)c1ccc(-c2cc3ccccc3o2)cc1
InChIInChI=1S/C23H26N2O6/c1-15(22(26)25-28)11-19(13-30-14-29-2)24-23(27)17-9-7-16(8-10-17)21-12-18-5-3-4-6-20(18)31-21/h3-10,12,15,19,28H,11,13-14H2,1-2H3,(H,24,27)(H,25,26)/t15-,19-/m0/s1
InChIKeyPDVMGZNFDRXTHL-KXBFYZLASA-N
XLogP3.35
TPSA110.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Related Compounds

N-[5-(hydroxyamino)-1-(methoxymethoxy)-4-methyl-5-oxopentan-2-yl]-4-(4-phenylphenyl)benzamide
CID 18468411
N-[(2S,4S)-5-(hydroxyamino)-1-(methoxymethoxy)-4-methyl-5-oxopentan-2-yl]-4-(4-phenoxyphenyl)benzamide
CID 22093770
N-[5-(hydroxyamino)-1-(methoxymethoxy)-4-methyl-5-oxopentan-2-yl]-4-(3-hydroxyphenoxy)benzamide
CID 18468383
N-[(2S,4S)-5-(hydroxyamino)-1-(methoxymethoxy)-4-methyl-5-oxopentan-2-yl]-4-[(E)-2-pyridin-4-ylethenyl]benzamide
CID 22093757
4-hept-1-ynyl-N-[5-(hydroxyamino)-1-(methoxymethoxy)-4-methyl-5-oxopentan-2-yl]benzamide
CID 18468439
3-(1-benzofuran-2-yl)-N-[(2R,3R)-1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 162656989
4-(1-benzofuran-2-yl)-N-[4-(hydroxyamino)-4-oxo-3-(phenylmethoxymethoxy)butyl]benzamide
CID 18468240
N-[(2S,4S)-4-(hydroxycarbamoyl)-1-(methoxymethoxy)hexan-2-yl]-4-phenoxybenzamide
CID 22093716
4-(1-benzofuran-2-yl)-N-[(2S)-5-(hydroxyamino)-1-morpholin-4-yl-1,5-dioxopentan-2-yl]benzamide
CID 59901661
(3S)-4-[[4-(1-benzofuran-2-yl)benzoyl]amino]-3-hydroxybutanoic acid
CID 22093535
4-cyano-N-[5-(hydroxyamino)-1-(2-methoxyethoxymethoxy)-4-(2-methoxyethoxymethyl)-5-oxopentan-2-yl]benzamide
CID 22093924
N-[(2S,4S)-1-(ethoxymethoxy)-5-(hydroxyamino)-4-methyl-5-oxopentan-2-yl]-3-hydroxy-4-nitrobenzamide
CID 22093732

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-N-[(2S,4S)-5-(hydroxyamino)-1-(methoxymethoxy)-4-methyl-5-oxopentan-2-yl]benzamide?
The IUPAC name of 4-(1-benzofuran-2-yl)-N-[(2S,4S)-5-(hydroxyamino)-1-(methoxymethoxy)-4-methyl-5-oxopentan-2-yl]benzamide (CID 59901643) is 4-(1-benzofuran-2-yl)-N-[(2S,4S)-5-(hydroxyamino)-1-(methoxymethoxy)-4-methyl-5-oxopentan-2-yl]benzamide.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-N-[(2S,4S)-5-(hydroxyamino)-1-(methoxymethoxy)-4-methyl-5-oxopentan-2-yl]benzamide?
The canonical SMILES for 4-(1-benzofuran-2-yl)-N-[(2S,4S)-5-(hydroxyamino)-1-(methoxymethoxy)-4-methyl-5-oxopentan-2-yl]benzamide is COCOC[C@H](C[C@H](C)C(=O)NO)NC(=O)c1ccc(-c2cc3ccccc3o2)cc1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-N-[(2S,4S)-5-(hydroxyamino)-1-(methoxymethoxy)-4-methyl-5-oxopentan-2-yl]benzamide?
The InChIKey is PDVMGZNFDRXTHL-KXBFYZLASA-N. The full InChI is InChI=1S/C23H26N2O6/c1-15(22(26)25-28)11-19(13-30-14-29-2)24-23(27)17-9-7-16(8-10-17)21-12-18-5-3-4-6-20(18)31-21/h3-10,12,15,19,28H,11,13-14H2,1-2H3,(H,24,27)(H,25,26)/t15-,19-/m0/s1.
What are the key properties of 4-(1-benzofuran-2-yl)-N-[(2S,4S)-5-(hydroxyamino)-1-(methoxymethoxy)-4-methyl-5-oxopentan-2-yl]benzamide?
4-(1-benzofuran-2-yl)-N-[(2S,4S)-5-(hydroxyamino)-1-(methoxymethoxy)-4-methyl-5-oxopentan-2-yl]benzamide has a molecular weight of 426.47 g/mol, XLogP of 3.35, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-N-[(2S,4S)-5-(hydroxyamino)-1-(methoxymethoxy)-4-methyl-5-oxopentan-2-yl]benzamide is sourced from PubChem (CID 59901643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).