2,5-dihydroxy-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide

C14H20N2O4 — CID 107725339

IUPAC2,5-dihydroxy-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(c1cc(O)ccc1O)N(CCO)CC1CCCN1
InChIInChI=1S/C14H20N2O4/c17-7-6-16(9-10-2-1-5-15-10)14(20)12-8-11(18)3-4-13(12)19/h3-4,8,10,15,17-19H,1-2,5-7,9H2
InChIKeyFRGPYUUJHDGTJE-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.28
Rot. Bonds5

About 2,5-dihydroxy-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide

2,5-dihydroxy-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 107725339) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2,5-dihydroxy-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID107725339
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2,5-dihydroxy-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(c1cc(O)ccc1O)N(CCO)CC1CCCN1
InChIInChI=1S/C14H20N2O4/c17-7-6-16(9-10-2-1-5-15-10)14(20)12-8-11(18)3-4-13(12)19/h3-4,8,10,15,17-19H,1-2,5-7,9H2
InChIKeyFRGPYUUJHDGTJE-UHFFFAOYSA-N
XLogP0.28
TPSA93.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-(2-hydroxyethyl)-5-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107732251
N-cyclopropyl-2,5-dihydroxy-N-(piperidin-2-ylmethyl)benzamide
CID 107725344
N-(cyclopropylmethyl)-2-hydroxy-5-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107732244
2,4-dihydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625817
2-chloro-5-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611521
5-fluoro-2-hydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625545
N-(2-hydroxyethyl)-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612911
N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-indole-3-carboxamide
CID 106612620
2-chloro-N-(2-hydroxyethyl)-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612857
N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612351
N-ethyl-2-hydroxy-5-iodo-N-(piperidin-2-ylmethyl)benzamide
CID 107732253
5-bromo-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide
CID 107963789

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 2,5-dihydroxy-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide (CID 107725339) is 2,5-dihydroxy-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 2,5-dihydroxy-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide is O=C(c1cc(O)ccc1O)N(CCO)CC1CCCN1.
What is the InChIKey of 2,5-dihydroxy-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is FRGPYUUJHDGTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c17-7-6-16(9-10-2-1-5-15-10)14(20)12-8-11(18)3-4-13(12)19/h3-4,8,10,15,17-19H,1-2,5-7,9H2.
What are the key properties of 2,5-dihydroxy-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
2,5-dihydroxy-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 280.32 g/mol, XLogP of 0.28, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 107725339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).