2,5-dihydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide

C12H17NO4 — CID 107722686

IUPAC2,5-dihydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CCO)C(=O)c1cc(O)ccc1O
InChIInChI=1S/C12H17NO4/c1-8(2)13(5-6-14)12(17)10-7-9(15)3-4-11(10)16/h3-4,7-8,14-16H,5-6H2,1-2H3
InChIKeyJASDJTUCQSFXMU-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.94
Rot. Bonds4

About 2,5-dihydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide

2,5-dihydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide (PubChem CID 107722686) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2,5-dihydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
PubChem CID107722686
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2,5-dihydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CCO)C(=O)c1cc(O)ccc1O
InChIInChI=1S/C12H17NO4/c1-8(2)13(5-6-14)12(17)10-7-9(15)3-4-11(10)16/h3-4,7-8,14-16H,5-6H2,1-2H3
InChIKeyJASDJTUCQSFXMU-UHFFFAOYSA-N
XLogP0.94
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-2,5-dihydroxy-N-propan-2-ylbenzamide
CID 107725804
5-chloro-2-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 43573260
2-hydroxy-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylbenzamide
CID 43573156
2-amino-5-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 107074136
N-(3-amino-3-sulfanylidenepropyl)-2,5-dihydroxy-N-propan-2-ylbenzamide
CID 107722079
5-bromo-2-hydroxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 107729713
2,5-dihydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
CID 107722509
3-[(2-chloro-5-hydroxybenzoyl)-propan-2-ylamino]propanoic acid
CID 106500210
N-(2-bromoethyl)-2-chloro-5-hydroxy-N-propan-2-ylbenzamide
CID 106503099
2,5-dihydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 107722894
3-hydroxy-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzamide
CID 43573118
N-(3-chloropropyl)-2-hydroxy-5-methyl-N-propan-2-ylbenzamide
CID 63390870

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 2,5-dihydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide (CID 107722686) is 2,5-dihydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 2,5-dihydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 2,5-dihydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide is CC(C)N(CCO)C(=O)c1cc(O)ccc1O.
What is the InChIKey of 2,5-dihydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide?
The InChIKey is JASDJTUCQSFXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-8(2)13(5-6-14)12(17)10-7-9(15)3-4-11(10)16/h3-4,7-8,14-16H,5-6H2,1-2H3.
What are the key properties of 2,5-dihydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide?
2,5-dihydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide has a molecular weight of 239.27 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 107722686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).