N'-hydroxy-N-[4-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]phenyl]oxamide

C18H19N3O5 — CID 71523298

IUPACN'-hydroxy-N-[4-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]phenyl]oxamide
SMILESO=C(NO)C(=O)Nc1ccc(CC(=O)N(CCO)c2ccccc2)cc1
InChIInChI=1S/C18H19N3O5/c22-11-10-21(15-4-2-1-3-5-15)16(23)12-13-6-8-14(9-7-13)19-17(24)18(25)20-26/h1-9,22,26H,10-12H2,(H,19,24)(H,20,25)
InChIKeyQSCXMLHLOKTFCG-UHFFFAOYSA-N
MW357.37 g/mol
LogP0.70
Rot. Bonds6

About N'-hydroxy-N-[4-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]phenyl]oxamide

N'-hydroxy-N-[4-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]phenyl]oxamide (PubChem CID 71523298) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N'-hydroxy-N-[4-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]phenyl]oxamide.

Molecular Properties

Compound NameN'-hydroxy-N-[4-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]phenyl]oxamide
PubChem CID71523298
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN'-hydroxy-N-[4-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]phenyl]oxamide
SMILESO=C(NO)C(=O)Nc1ccc(CC(=O)N(CCO)c2ccccc2)cc1
InChIInChI=1S/C18H19N3O5/c22-11-10-21(15-4-2-1-3-5-15)16(23)12-13-6-8-14(9-7-13)19-17(24)18(25)20-26/h1-9,22,26H,10-12H2,(H,19,24)(H,20,25)
InChIKeyQSCXMLHLOKTFCG-UHFFFAOYSA-N
XLogP0.70
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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

1-(2-hydroxyethyl)-3-[4-[[2-hydroxyethyl(phenyl)carbamoyl]amino]phenyl]-1-phenylurea
CID 122416480
2-[4-(2,3-dioxobutyl)phenyl]-N-(2-hydroxyethyl)-N-phenylacetamide
CID 159346276
N'-hydroxy-N-phenyloxamide
CID 5008441
1-(2-hydroxyethyl)-1,3-diphenylthiourea
CID 838392
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-phenylpropanamide
CID 55817357
1-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119717908
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 52663080
2-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)-N-phenylacetamide
CID 136576474
N-benzyl-2-(4-bromophenyl)-N-phenylacetamide
CID 18281131
N-butyl-N-phenyl-2-(4-sulfanylphenyl)acetamide
CID 107030902
N-ethyl-2-[4-[(2-hydroxy-2-phenylethyl)carbamoylamino]phenyl]-N-phenylacetamide
CID 112838540
(2S)-2-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-4-methylpentanamide
CID 119717943

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-[4-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]phenyl]oxamide?
The IUPAC name of N'-hydroxy-N-[4-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]phenyl]oxamide (CID 71523298) is N'-hydroxy-N-[4-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]phenyl]oxamide.
What is the SMILES notation for N'-hydroxy-N-[4-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]phenyl]oxamide?
The canonical SMILES for N'-hydroxy-N-[4-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]phenyl]oxamide is O=C(NO)C(=O)Nc1ccc(CC(=O)N(CCO)c2ccccc2)cc1.
What is the InChIKey of N'-hydroxy-N-[4-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]phenyl]oxamide?
The InChIKey is QSCXMLHLOKTFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c22-11-10-21(15-4-2-1-3-5-15)16(23)12-13-6-8-14(9-7-13)19-17(24)18(25)20-26/h1-9,22,26H,10-12H2,(H,19,24)(H,20,25).
What are the key properties of N'-hydroxy-N-[4-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]phenyl]oxamide?
N'-hydroxy-N-[4-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]phenyl]oxamide has a molecular weight of 357.37 g/mol, XLogP of 0.70, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[4-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]phenyl]oxamide is sourced from PubChem (CID 71523298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).