N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-ethoxybenzamide

C12H17N3O4 — CID 89072084

IUPACN-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N[C@@H](CN)C(=O)NO)cc1
InChIInChI=1S/C12H17N3O4/c1-2-19-9-5-3-8(4-6-9)11(16)14-10(7-13)12(17)15-18/h3-6,10,18H,2,7,13H2,1H3,(H,14,16)(H,15,17)/t10-/m0/s1
InChIKeyYYSKESYIFNRRKR-JTQLQIEISA-N
MW267.29 g/mol
LogP-0.35
Rot. Bonds6

About N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-ethoxybenzamide

N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-ethoxybenzamide (PubChem CID 89072084) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-ethoxybenzamide
PubChem CID89072084
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC NameN-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N[C@@H](CN)C(=O)NO)cc1
InChIInChI=1S/C12H17N3O4/c1-2-19-9-5-3-8(4-6-9)11(16)14-10(7-13)12(17)15-18/h3-6,10,18H,2,7,13H2,1H3,(H,14,16)(H,15,17)/t10-/m0/s1
InChIKeyYYSKESYIFNRRKR-JTQLQIEISA-N
XLogP-0.35
TPSA113.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[2-[4-[2-(hydroxyamino)-2-oxoethoxy]phenyl]ethynyl]benzamide
CID 59697340
4-ethoxy-N-[(2S)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 89072027
N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[2-(4-methylphenyl)ethynyl]benzamide;methane
CID 159738618
N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[2-(4-methylphenyl)ethyl]benzamide;methane
CID 157286348
N-[(2R)-butan-2-yl]-4-ethoxybenzamide
CID 721844
4-[4-[(2-aminoacetyl)amino]phenyl]-N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]benzamide
CID 87199616
N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[4-(4-aminophenyl)buta-1,3-diynyl]benzamide
CID 59698091
(2S)-2-[(4-ethoxybenzoyl)amino]hexanoic acid
CID 107144444
ethyl 2-[(4-ethoxybenzoyl)amino]-3-oxobutanoate
CID 155594219
4-ethoxy-N-(4-hydroxybutan-2-yl)benzamide
CID 81042787
4-ethoxy-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246765
N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[2-[3-(ethylamino)phenyl]ethynyl]benzamide
CID 59697248

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-ethoxybenzamide?
The IUPAC name of N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-ethoxybenzamide (CID 89072084) is N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-ethoxybenzamide.
What is the SMILES notation for N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-ethoxybenzamide?
The canonical SMILES for N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-ethoxybenzamide is CCOc1ccc(C(=O)N[C@@H](CN)C(=O)NO)cc1.
What is the InChIKey of N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-ethoxybenzamide?
The InChIKey is YYSKESYIFNRRKR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17N3O4/c1-2-19-9-5-3-8(4-6-9)11(16)14-10(7-13)12(17)15-18/h3-6,10,18H,2,7,13H2,1H3,(H,14,16)(H,15,17)/t10-/m0/s1.
What are the key properties of N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-ethoxybenzamide?
N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-ethoxybenzamide has a molecular weight of 267.29 g/mol, XLogP of -0.35, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-ethoxybenzamide is sourced from PubChem (CID 89072084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).