N-[2,5-dihydroxy-4-(4-methylanilino)phenyl]acetamide

C15H16N2O3 — CID 139679936

IUPACN-[2,5-dihydroxy-4-(4-methylanilino)phenyl]acetamide
SMILESCC(=O)Nc1cc(O)c(Nc2ccc(C)cc2)cc1O
InChIInChI=1S/C15H16N2O3/c1-9-3-5-11(6-4-9)17-13-8-14(19)12(7-15(13)20)16-10(2)18/h3-8,17,19-20H,1-2H3,(H,16,18)
InChIKeyXVQOHQHJAIXVAA-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.11
Rot. Bonds3

About N-[2,5-dihydroxy-4-(4-methylanilino)phenyl]acetamide

N-[2,5-dihydroxy-4-(4-methylanilino)phenyl]acetamide (PubChem CID 139679936) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[2,5-dihydroxy-4-(4-methylanilino)phenyl]acetamide.

Molecular Properties

Compound NameN-[2,5-dihydroxy-4-(4-methylanilino)phenyl]acetamide
PubChem CID139679936
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-[2,5-dihydroxy-4-(4-methylanilino)phenyl]acetamide
SMILESCC(=O)Nc1cc(O)c(Nc2ccc(C)cc2)cc1O
InChIInChI=1S/C15H16N2O3/c1-9-3-5-11(6-4-9)17-13-8-14(19)12(7-15(13)20)16-10(2)18/h3-8,17,19-20H,1-2H3,(H,16,18)
InChIKeyXVQOHQHJAIXVAA-UHFFFAOYSA-N
XLogP3.11
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2,5-dihydroxy-4-(4-methylanilino)phenyl]acetamide?
The IUPAC name of N-[2,5-dihydroxy-4-(4-methylanilino)phenyl]acetamide (CID 139679936) is N-[2,5-dihydroxy-4-(4-methylanilino)phenyl]acetamide.
What is the SMILES notation for N-[2,5-dihydroxy-4-(4-methylanilino)phenyl]acetamide?
The canonical SMILES for N-[2,5-dihydroxy-4-(4-methylanilino)phenyl]acetamide is CC(=O)Nc1cc(O)c(Nc2ccc(C)cc2)cc1O.
What is the InChIKey of N-[2,5-dihydroxy-4-(4-methylanilino)phenyl]acetamide?
The InChIKey is XVQOHQHJAIXVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-3-5-11(6-4-9)17-13-8-14(19)12(7-15(13)20)16-10(2)18/h3-8,17,19-20H,1-2H3,(H,16,18).
What are the key properties of N-[2,5-dihydroxy-4-(4-methylanilino)phenyl]acetamide?
N-[2,5-dihydroxy-4-(4-methylanilino)phenyl]acetamide has a molecular weight of 272.30 g/mol, XLogP of 3.11, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dihydroxy-4-(4-methylanilino)phenyl]acetamide is sourced from PubChem (CID 139679936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).