N-(2,5-dihydroxyphenyl)-2-(N-methylanilino)acetamide

C15H16N2O3 — CID 118722092

IUPACN-(2,5-dihydroxyphenyl)-2-(N-methylanilino)acetamide
SMILESCN(CC(=O)Nc1cc(O)ccc1O)c1ccccc1
InChIInChI=1S/C15H16N2O3/c1-17(11-5-3-2-4-6-11)10-15(20)16-13-9-12(18)7-8-14(13)19/h2-9,18-19H,10H2,1H3,(H,16,20)
InChIKeyNWFAPRPDACGRSW-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.17
Rot. Bonds4

About N-(2,5-dihydroxyphenyl)-2-(N-methylanilino)acetamide

N-(2,5-dihydroxyphenyl)-2-(N-methylanilino)acetamide (PubChem CID 118722092) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(2,5-dihydroxyphenyl)-2-(N-methylanilino)acetamide.

Molecular Properties

Compound NameN-(2,5-dihydroxyphenyl)-2-(N-methylanilino)acetamide
PubChem CID118722092
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-(2,5-dihydroxyphenyl)-2-(N-methylanilino)acetamide
SMILESCN(CC(=O)Nc1cc(O)ccc1O)c1ccccc1
InChIInChI=1S/C15H16N2O3/c1-17(11-5-3-2-4-6-11)10-15(20)16-13-9-12(18)7-8-14(13)19/h2-9,18-19H,10H2,1H3,(H,16,20)
InChIKeyNWFAPRPDACGRSW-UHFFFAOYSA-N
XLogP2.17
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.17
H-Bond Donors ≤ 53
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-dihydroxyphenyl)-2-(N-methylanilino)acetamide?
The IUPAC name of N-(2,5-dihydroxyphenyl)-2-(N-methylanilino)acetamide (CID 118722092) is N-(2,5-dihydroxyphenyl)-2-(N-methylanilino)acetamide.
What is the SMILES notation for N-(2,5-dihydroxyphenyl)-2-(N-methylanilino)acetamide?
The canonical SMILES for N-(2,5-dihydroxyphenyl)-2-(N-methylanilino)acetamide is CN(CC(=O)Nc1cc(O)ccc1O)c1ccccc1.
What is the InChIKey of N-(2,5-dihydroxyphenyl)-2-(N-methylanilino)acetamide?
The InChIKey is NWFAPRPDACGRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-17(11-5-3-2-4-6-11)10-15(20)16-13-9-12(18)7-8-14(13)19/h2-9,18-19H,10H2,1H3,(H,16,20).
What are the key properties of N-(2,5-dihydroxyphenyl)-2-(N-methylanilino)acetamide?
N-(2,5-dihydroxyphenyl)-2-(N-methylanilino)acetamide has a molecular weight of 272.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dihydroxyphenyl)-2-(N-methylanilino)acetamide is sourced from PubChem (CID 118722092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).