N-[2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-4-phenylbenzamide

C16H16N2O4 — CID 59697016

IUPACN-[2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-4-phenylbenzamide
SMILESO=C(NCC(O)C(=O)NO)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16N2O4/c19-14(16(21)18-22)10-17-15(20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14,19,22H,10H2,(H,17,20)(H,18,21)
InChIKeyYUKHMDKYHZSKLV-UHFFFAOYSA-N
MW300.31 g/mol
LogP0.95
Rot. Bonds5

About N-[2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-4-phenylbenzamide

N-[2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-4-phenylbenzamide (PubChem CID 59697016) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-[2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-4-phenylbenzamide
PubChem CID59697016
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-[2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-4-phenylbenzamide
SMILESO=C(NCC(O)C(=O)NO)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16N2O4/c19-14(16(21)18-22)10-17-15(20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14,19,22H,10H2,(H,17,20)(H,18,21)
InChIKeyYUKHMDKYHZSKLV-UHFFFAOYSA-N
XLogP0.95
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 50.95
H-Bond Donors ≤ 54
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

N-(2-hydroxypropyl)-4-phenylbenzamide
CID 43391038
N-(2-methylpropyl)-4-(4-phenylphenyl)benzamide
CID 145125410
N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]-4-phenylbenzamide
CID 175913500
4-phenyl-N-[2-[(4-phenylbenzoyl)amino]propyl]benzamide
CID 3732499
methyl (2R)-3-benzamido-2-hydroxypropanoate
CID 100946416
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-4-phenylbenzamide
CID 95367502
N-[2-(furan-3-yl)-2-hydroxyethyl]-4-phenylbenzamide
CID 71798320
N-[4-[[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]amino]-4-oxobutyl]-4-phenylbenzamide
CID 87836455
N-[2-benzamido-2-(4-phenylphenyl)ethyl]benzamide
CID 139256665
4-phenyl-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157619
N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-phenylbenzamide
CID 8701383
4-phenyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157618

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-4-phenylbenzamide?
The IUPAC name of N-[2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-4-phenylbenzamide (CID 59697016) is N-[2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-4-phenylbenzamide is O=C(NCC(O)C(=O)NO)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-4-phenylbenzamide?
The InChIKey is YUKHMDKYHZSKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c19-14(16(21)18-22)10-17-15(20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14,19,22H,10H2,(H,17,20)(H,18,21).
What are the key properties of N-[2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-4-phenylbenzamide?
N-[2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-4-phenylbenzamide has a molecular weight of 300.31 g/mol, XLogP of 0.95, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-4-phenylbenzamide is sourced from PubChem (CID 59697016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).