3-(1-benzofuran-2-yl)-N-[(2R,3R)-1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]benzamide

C21H22N2O4 — CID 162656989

IUPAC3-(1-benzofuran-2-yl)-N-[(2R,3R)-1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCC[C@@H](C)[C@@H](NC(=O)c1cccc(-c2cc3ccccc3o2)c1)C(=O)NO
InChIInChI=1S/C21H22N2O4/c1-3-13(2)19(21(25)23-26)22-20(24)16-9-6-8-14(11-16)18-12-15-7-4-5-10-17(15)27-18/h4-13,19,26H,3H2,1-2H3,(H,22,24)(H,23,25)/t13-,19-/m1/s1
InChIKeyDARYRCRYUYLUMU-BFUOFWGJSA-N
MW366.42 g/mol
LogP3.75
Rot. Bonds6

About 3-(1-benzofuran-2-yl)-N-[(2R,3R)-1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]benzamide

3-(1-benzofuran-2-yl)-N-[(2R,3R)-1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 162656989) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-N-[(2R,3R)-1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-N-[(2R,3R)-1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]benzamide
PubChem CID162656989
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name3-(1-benzofuran-2-yl)-N-[(2R,3R)-1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCC[C@@H](C)[C@@H](NC(=O)c1cccc(-c2cc3ccccc3o2)c1)C(=O)NO
InChIInChI=1S/C21H22N2O4/c1-3-13(2)19(21(25)23-26)22-20(24)16-9-6-8-14(11-16)18-12-15-7-4-5-10-17(15)27-18/h4-13,19,26H,3H2,1-2H3,(H,22,24)(H,23,25)/t13-,19-/m1/s1
InChIKeyDARYRCRYUYLUMU-BFUOFWGJSA-N
XLogP3.75
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]pentanoic acid
CID 4838410
3-methyl-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]butanoic acid
CID 4839243
(2S)-3-methyl-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]butanoate
CID 7094528
4-(1-benzofuran-2-yl)-N-[(2S,4S)-5-(hydroxyamino)-1-(methoxymethoxy)-4-methyl-5-oxopentan-2-yl]benzamide
CID 59901643
(2S,3S)-2-[[3-(furan-3-yl)benzoyl]amino]-3-methylpentanoic acid
CID 120517399
(2S)-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]propanoic acid
CID 7095122
2-[(3-fluorobenzoyl)amino]-3-methylpentanoic acid
CID 16774745
2-[(3-carbamoylbenzoyl)amino]-3-methylpentanoic acid
CID 60858023
methyl (2R,3S)-3-methyl-2-(naphthalene-2-carbonylamino)pentanoate
CID 9245605
(2S)-3-methyl-2-[(3-nitrobenzoyl)amino]pentanoic acid
CID 61172538
N-[(2S)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]pentan-2-yl]benzamide
CID 173102117
methyl 4-methylsulfanyl-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]butanoate
CID 110210068

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-N-[(2R,3R)-1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of 3-(1-benzofuran-2-yl)-N-[(2R,3R)-1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]benzamide (CID 162656989) is 3-(1-benzofuran-2-yl)-N-[(2R,3R)-1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-N-[(2R,3R)-1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 3-(1-benzofuran-2-yl)-N-[(2R,3R)-1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]benzamide is CC[C@@H](C)[C@@H](NC(=O)c1cccc(-c2cc3ccccc3o2)c1)C(=O)NO.
What is the InChIKey of 3-(1-benzofuran-2-yl)-N-[(2R,3R)-1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is DARYRCRYUYLUMU-BFUOFWGJSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-3-13(2)19(21(25)23-26)22-20(24)16-9-6-8-14(11-16)18-12-15-7-4-5-10-17(15)27-18/h4-13,19,26H,3H2,1-2H3,(H,22,24)(H,23,25)/t13-,19-/m1/s1.
What are the key properties of 3-(1-benzofuran-2-yl)-N-[(2R,3R)-1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]benzamide?
3-(1-benzofuran-2-yl)-N-[(2R,3R)-1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 366.42 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-N-[(2R,3R)-1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 162656989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).