2,5-dihydroxy-N-methyl-N-pentan-3-ylbenzamide

C13H19NO3 — CID 107722395

IUPAC2,5-dihydroxy-N-methyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(C)C(=O)c1cc(O)ccc1O
InChIInChI=1S/C13H19NO3/c1-4-9(5-2)14(3)13(17)11-8-10(15)6-7-12(11)16/h6-9,15-16H,4-5H2,1-3H3
InChIKeyKJHJTNHKPGSAGV-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.36
Rot. Bonds4

About 2,5-dihydroxy-N-methyl-N-pentan-3-ylbenzamide

2,5-dihydroxy-N-methyl-N-pentan-3-ylbenzamide (PubChem CID 107722395) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2,5-dihydroxy-N-methyl-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-methyl-N-pentan-3-ylbenzamide
PubChem CID107722395
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2,5-dihydroxy-N-methyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(C)C(=O)c1cc(O)ccc1O
InChIInChI=1S/C13H19NO3/c1-4-9(5-2)14(3)13(17)11-8-10(15)6-7-12(11)16/h6-9,15-16H,4-5H2,1-3H3
InChIKeyKJHJTNHKPGSAGV-UHFFFAOYSA-N
XLogP2.36
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-bromopropan-2-yl)-2,5-dihydroxy-N-methylbenzamide
CID 107726127
2-[(2,5-dihydroxybenzoyl)-methylamino]propanoic acid
CID 107721641
2,5-dihydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 107722894
2-hydroxy-5-iodo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 103526844
2,5-dihydroxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 103892100
5-hydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-nitrobenzamide
CID 107076447
N-(2-aminopropyl)-2,5-dihydroxy-N-methylbenzamide
CID 107726322
4-hydroxy-N,3-dimethyl-N-pentan-3-ylbenzamide
CID 103956399
3-hydroxy-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 43571474
2,4-diamino-N-methyl-N-pentan-3-ylbenzamide
CID 61093478
2,5-dihydroxy-N-methyl-N-phenylbenzamide
CID 113347039
N-cyclopropyl-2,5-dihydroxy-N-methylbenzamide
CID 107722324

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-methyl-N-pentan-3-ylbenzamide?
The IUPAC name of 2,5-dihydroxy-N-methyl-N-pentan-3-ylbenzamide (CID 107722395) is 2,5-dihydroxy-N-methyl-N-pentan-3-ylbenzamide.
What is the SMILES notation for 2,5-dihydroxy-N-methyl-N-pentan-3-ylbenzamide?
The canonical SMILES for 2,5-dihydroxy-N-methyl-N-pentan-3-ylbenzamide is CCC(CC)N(C)C(=O)c1cc(O)ccc1O.
What is the InChIKey of 2,5-dihydroxy-N-methyl-N-pentan-3-ylbenzamide?
The InChIKey is KJHJTNHKPGSAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-9(5-2)14(3)13(17)11-8-10(15)6-7-12(11)16/h6-9,15-16H,4-5H2,1-3H3.
What are the key properties of 2,5-dihydroxy-N-methyl-N-pentan-3-ylbenzamide?
2,5-dihydroxy-N-methyl-N-pentan-3-ylbenzamide has a molecular weight of 237.30 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-methyl-N-pentan-3-ylbenzamide is sourced from PubChem (CID 107722395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).