2,5-dihydroxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide

C15H23NO4 — CID 103892100

IUPAC2,5-dihydroxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCOC)C(=O)c1cc(O)ccc1O
InChIInChI=1S/C15H23NO4/c1-4-11(5-2)16(8-9-20-3)15(19)13-10-12(17)6-7-14(13)18/h6-7,10-11,17-18H,4-5,8-9H2,1-3H3
InChIKeyWXKMXQGHKODIIU-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.38
Rot. Bonds7

About 2,5-dihydroxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide

2,5-dihydroxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide (PubChem CID 103892100) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2,5-dihydroxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
PubChem CID103892100
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2,5-dihydroxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCOC)C(=O)c1cc(O)ccc1O
InChIInChI=1S/C15H23NO4/c1-4-11(5-2)16(8-9-20-3)15(19)13-10-12(17)6-7-14(13)18/h6-7,10-11,17-18H,4-5,8-9H2,1-3H3
InChIKeyWXKMXQGHKODIIU-UHFFFAOYSA-N
XLogP2.38
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 60792619
2-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 86982098
2,5-dihydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 103892150
2-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide
CID 107026543
2-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide
CID 107026547
2,5-dihydroxy-N-methyl-N-pentan-3-ylbenzamide
CID 107722395
2-amino-5-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 61108278
2-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 62243860
2,6-dichloro-N-(2-methoxyethyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 60792617
3-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbenzamide
CID 61108280
2,5-dihydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 107722686
N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-carboxamide
CID 60792621

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide?
The IUPAC name of 2,5-dihydroxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide (CID 103892100) is 2,5-dihydroxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide.
What is the SMILES notation for 2,5-dihydroxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide?
The canonical SMILES for 2,5-dihydroxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide is CCC(CC)N(CCOC)C(=O)c1cc(O)ccc1O.
What is the InChIKey of 2,5-dihydroxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide?
The InChIKey is WXKMXQGHKODIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-11(5-2)16(8-9-20-3)15(19)13-10-12(17)6-7-14(13)18/h6-7,10-11,17-18H,4-5,8-9H2,1-3H3.
What are the key properties of 2,5-dihydroxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide?
2,5-dihydroxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide has a molecular weight of 281.35 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide is sourced from PubChem (CID 103892100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).