1-N-hydroxy-3-N-(2-phenylethoxy)benzene-1,3-dicarboxamide

C16H16N2O4 — CID 164625826

IUPAC1-N-hydroxy-3-N-(2-phenylethoxy)benzene-1,3-dicarboxamide
SMILESO=C(NO)c1cccc(C(=O)NOCCc2ccccc2)c1
InChIInChI=1S/C16H16N2O4/c19-15(17-21)13-7-4-8-14(11-13)16(20)18-22-10-9-12-5-2-1-3-6-12/h1-8,11,21H,9-10H2,(H,17,19)(H,18,20)
InChIKeyIBZHCQSCIXOZAI-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.71
Rot. Bonds6

About 1-N-hydroxy-3-N-(2-phenylethoxy)benzene-1,3-dicarboxamide

1-N-hydroxy-3-N-(2-phenylethoxy)benzene-1,3-dicarboxamide (PubChem CID 164625826) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 1-N-hydroxy-3-N-(2-phenylethoxy)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-hydroxy-3-N-(2-phenylethoxy)benzene-1,3-dicarboxamide
PubChem CID164625826
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name1-N-hydroxy-3-N-(2-phenylethoxy)benzene-1,3-dicarboxamide
SMILESO=C(NO)c1cccc(C(=O)NOCCc2ccccc2)c1
InChIInChI=1S/C16H16N2O4/c19-15(17-21)13-7-4-8-14(11-13)16(20)18-22-10-9-12-5-2-1-3-6-12/h1-8,11,21H,9-10H2,(H,17,19)(H,18,20)
InChIKeyIBZHCQSCIXOZAI-UHFFFAOYSA-N
XLogP1.71
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

3-[3-[3-(4-phenoxybutoxy)phenyl]propoxycarbamoyl]benzoic acid
CID 57247478
3-(chloromethyl)-N-(2-methoxyethoxy)benzamide
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3-(methylsulfanylmethyl)-N-phenylmethoxybenzamide
CID 30796114
N-(2-fluoroethoxy)benzamide
CID 142724963
[3-(2-methoxyethyl)phenyl]-phenylmethanone
CID 91307514
3-hydroxy-N-(2-methoxyethoxy)benzamide
CID 82722823
3-(3-phenylpropoxymethyl)benzohydrazide
CID 63569149
N-[6-(hydroxyamino)-6-oxohexoxy]benzamide
CID 71520627
N-hydroxybenzamide;nickel
CID 88846751
2-phenylethyl 3-[3-[3-oxo-3-(2-phenylethoxy)propyl]phenyl]propanoate
CID 162059275
3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109054092
benzyl N-[2-(4-bromophenyl)ethoxy]carbamate
CID 165437725

Frequently Asked Questions

What is the IUPAC name of 1-N-hydroxy-3-N-(2-phenylethoxy)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-hydroxy-3-N-(2-phenylethoxy)benzene-1,3-dicarboxamide (CID 164625826) is 1-N-hydroxy-3-N-(2-phenylethoxy)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-hydroxy-3-N-(2-phenylethoxy)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-hydroxy-3-N-(2-phenylethoxy)benzene-1,3-dicarboxamide is O=C(NO)c1cccc(C(=O)NOCCc2ccccc2)c1.
What is the InChIKey of 1-N-hydroxy-3-N-(2-phenylethoxy)benzene-1,3-dicarboxamide?
The InChIKey is IBZHCQSCIXOZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c19-15(17-21)13-7-4-8-14(11-13)16(20)18-22-10-9-12-5-2-1-3-6-12/h1-8,11,21H,9-10H2,(H,17,19)(H,18,20).
What are the key properties of 1-N-hydroxy-3-N-(2-phenylethoxy)benzene-1,3-dicarboxamide?
1-N-hydroxy-3-N-(2-phenylethoxy)benzene-1,3-dicarboxamide has a molecular weight of 300.31 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-hydroxy-3-N-(2-phenylethoxy)benzene-1,3-dicarboxamide is sourced from PubChem (CID 164625826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).