2,5-dihydroxy-N-(2-hydroxyethyl)-N-propylbenzamide

C12H17NO4 — CID 107722509

IUPAC2,5-dihydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1cc(O)ccc1O
InChIInChI=1S/C12H17NO4/c1-2-5-13(6-7-14)12(17)10-8-9(15)3-4-11(10)16/h3-4,8,14-16H,2,5-7H2,1H3
InChIKeyDKMJQUAHMQGGIW-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.94
Rot. Bonds5

About 2,5-dihydroxy-N-(2-hydroxyethyl)-N-propylbenzamide

2,5-dihydroxy-N-(2-hydroxyethyl)-N-propylbenzamide (PubChem CID 107722509) 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-propylbenzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
PubChem CID107722509
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2,5-dihydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1cc(O)ccc1O
InChIInChI=1S/C12H17NO4/c1-2-5-13(6-7-14)12(17)10-8-9(15)3-4-11(10)16/h3-4,8,14-16H,2,5-7H2,1H3
InChIKeyDKMJQUAHMQGGIW-UHFFFAOYSA-N
XLogP0.94
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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

2-hydroxy-5-iodo-N,N-dipropylbenzamide
CID 103602027
3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655677
2,5-dihydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 107722686
2,5-dihydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 103892150
2,5-dihydroxy-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107725339
2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655751
2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
CID 61425303
N,N-dibutyl-2-chloro-5-hydroxybenzamide
CID 106501357
5-bromo-2-chloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655961
2-[(2-hydroxy-5-methylbenzoyl)-propylamino]acetic acid
CID 61011942
N-(3-aminopropyl)-5-fluoro-2-hydroxy-N-propylbenzamide
CID 113281479
2,5-dihydroxy-N-methyl-N-pentan-3-ylbenzamide
CID 107722395

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-(2-hydroxyethyl)-N-propylbenzamide?
The IUPAC name of 2,5-dihydroxy-N-(2-hydroxyethyl)-N-propylbenzamide (CID 107722509) is 2,5-dihydroxy-N-(2-hydroxyethyl)-N-propylbenzamide.
What is the SMILES notation for 2,5-dihydroxy-N-(2-hydroxyethyl)-N-propylbenzamide?
The canonical SMILES for 2,5-dihydroxy-N-(2-hydroxyethyl)-N-propylbenzamide is CCCN(CCO)C(=O)c1cc(O)ccc1O.
What is the InChIKey of 2,5-dihydroxy-N-(2-hydroxyethyl)-N-propylbenzamide?
The InChIKey is DKMJQUAHMQGGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-2-5-13(6-7-14)12(17)10-8-9(15)3-4-11(10)16/h3-4,8,14-16H,2,5-7H2,1H3.
What are the key properties of 2,5-dihydroxy-N-(2-hydroxyethyl)-N-propylbenzamide?
2,5-dihydroxy-N-(2-hydroxyethyl)-N-propylbenzamide has a molecular weight of 239.27 g/mol, XLogP of 0.94, 5 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-propylbenzamide is sourced from PubChem (CID 107722509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).