2-anilino-N-(3,4-dihydroxyphenyl)acetamide

C14H14N2O3 — CID 122189951

IUPAC2-anilino-N-(3,4-dihydroxyphenyl)acetamide
SMILESO=C(CNc1ccccc1)Nc1ccc(O)c(O)c1
InChIInChI=1S/C14H14N2O3/c17-12-7-6-11(8-13(12)18)16-14(19)9-15-10-4-2-1-3-5-10/h1-8,15,17-18H,9H2,(H,16,19)
InChIKeyUBOWDSDFSRLNQR-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.15
Rot. Bonds4

About 2-anilino-N-(3,4-dihydroxyphenyl)acetamide

2-anilino-N-(3,4-dihydroxyphenyl)acetamide (PubChem CID 122189951) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-anilino-N-(3,4-dihydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-anilino-N-(3,4-dihydroxyphenyl)acetamide
PubChem CID122189951
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-anilino-N-(3,4-dihydroxyphenyl)acetamide
SMILESO=C(CNc1ccccc1)Nc1ccc(O)c(O)c1
InChIInChI=1S/C14H14N2O3/c17-12-7-6-11(8-13(12)18)16-14(19)9-15-10-4-2-1-3-5-10/h1-8,15,17-18H,9H2,(H,16,19)
InChIKeyUBOWDSDFSRLNQR-UHFFFAOYSA-N
XLogP2.15
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-Hydroxyacetaminophen
CID 161950
2-[(3-Hydroxyphenyl)amino]acetamide
CID 81649
(2S)-5-amino-2-(3,4-dihydroxyanilino)-5-oxopentanoic acid
CID 162851
2-anilino-N-[(3,4-dihydroxyphenyl)methyl]acetamide
CID 122189950
2-(cyclohexylamino)-N-(2,5-dihydroxyphenyl)acetamide
CID 77460995
Agaridoxin
CID 15382847
Ethanediamide, N,N'-bis(4-hydroxyphenyl)-
CID 209241
Ethanediamide, N-(4-hydroxyphenyl)-N'-2-propenyl-
CID 3022151
Ethanediamide, N-(4-hydroxyphenyl)-N'-(phenylmethyl)-
CID 3022152
2-Amino-N-(4-hydroxyphenyl)-2-oxoethanimidic acid
CID 13226831
6,7-Dihydroxy-1,4-dihydroquinoxaline-2,3-dione
CID 10774166
N-(3-hydroxyphenyl)-2-(N-methylanilino)acetamide
CID 118722094

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(3,4-dihydroxyphenyl)acetamide?
The IUPAC name of 2-anilino-N-(3,4-dihydroxyphenyl)acetamide (CID 122189951) is 2-anilino-N-(3,4-dihydroxyphenyl)acetamide.
What is the SMILES notation for 2-anilino-N-(3,4-dihydroxyphenyl)acetamide?
The canonical SMILES for 2-anilino-N-(3,4-dihydroxyphenyl)acetamide is O=C(CNc1ccccc1)Nc1ccc(O)c(O)c1.
What is the InChIKey of 2-anilino-N-(3,4-dihydroxyphenyl)acetamide?
The InChIKey is UBOWDSDFSRLNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-12-7-6-11(8-13(12)18)16-14(19)9-15-10-4-2-1-3-5-10/h1-8,15,17-18H,9H2,(H,16,19).
What are the key properties of 2-anilino-N-(3,4-dihydroxyphenyl)acetamide?
2-anilino-N-(3,4-dihydroxyphenyl)acetamide has a molecular weight of 258.28 g/mol, XLogP of 2.15, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(3,4-dihydroxyphenyl)acetamide is sourced from PubChem (CID 122189951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).