N-ethyl-2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide

C20H24N2O5 — CID 167505961

IUPACN-ethyl-2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide
SMILESCCN(Cc1ccc(C(=O)NO)cc1)C(=O)c1cc(C(C)C)c(O)cc1O
InChIInChI=1S/C20H24N2O5/c1-4-22(11-13-5-7-14(8-6-13)19(25)21-27)20(26)16-9-15(12(2)3)17(23)10-18(16)24/h5-10,12,23-24,27H,4,11H2,1-3H3,(H,21,25)
InChIKeyQXXUJIMVCLZDDR-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.00
Rot. Bonds6

About N-ethyl-2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide

N-ethyl-2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide (PubChem CID 167505961) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-ethyl-2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide
PubChem CID167505961
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC NameN-ethyl-2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide
SMILESCCN(Cc1ccc(C(=O)NO)cc1)C(=O)c1cc(C(C)C)c(O)cc1O
InChIInChI=1S/C20H24N2O5/c1-4-22(11-13-5-7-14(8-6-13)19(25)21-27)20(26)16-9-15(12(2)3)17(23)10-18(16)24/h5-10,12,23-24,27H,4,11H2,1-3H3,(H,21,25)
InChIKeyQXXUJIMVCLZDDR-UHFFFAOYSA-N
XLogP3.00
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.00
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

2,4-dihydroxy-N-[(3-methoxyphenyl)methyl]-5-propan-2-yl-N-propylbenzamide
CID 143655127
N-[(4-aminophenyl)methyl]-N-ethyl-2-hydroxy-5-methylbenzamide
CID 43458696
4-[[butyl(pentanoyl)amino]methyl]-N-hydroxybenzamide
CID 169452194
N-ethyl-N-(3-fluorophenyl)-2,4-dihydroxy-5-propan-2-ylbenzamide
CID 146316508
N-benzyl-4-chloro-N-ethyl-2-hydroxybenzamide
CID 28826070
ethane;4-ethyl-N-hydroxybenzamide
CID 142831550
4-[[benzoyl(cyclopropylmethyl)amino]methyl]-N-hydroxybenzamide
CID 177250979
N-hydroxy-4-(4-methylpentyl)benzamide
CID 59854516
4-N,4-N-dibutyl-1-N-hydroxybenzene-1,4-dicarboxamide
CID 11185445
4-hydroxy-2-methyl-5-propan-2-ylbenzohydrazide
CID 83386284
[4-(hydroxycarbamoyl)phenyl]methyl-[(3,4,5-trimethoxyphenyl)methyl]carbamic acid
CID 87545769
N-[(2-fluorophenyl)methyl]-2,4-dihydroxy-5-propan-2-ylbenzamide
CID 146316512

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide?
The IUPAC name of N-ethyl-2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide (CID 167505961) is N-ethyl-2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide.
What is the SMILES notation for N-ethyl-2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide?
The canonical SMILES for N-ethyl-2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide is CCN(Cc1ccc(C(=O)NO)cc1)C(=O)c1cc(C(C)C)c(O)cc1O.
What is the InChIKey of N-ethyl-2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide?
The InChIKey is QXXUJIMVCLZDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-4-22(11-13-5-7-14(8-6-13)19(25)21-27)20(26)16-9-15(12(2)3)17(23)10-18(16)24/h5-10,12,23-24,27H,4,11H2,1-3H3,(H,21,25).
What are the key properties of N-ethyl-2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide?
N-ethyl-2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide has a molecular weight of 372.42 g/mol, XLogP of 3.00, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide is sourced from PubChem (CID 167505961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).