2-anilino-N-[(3,4-dihydroxyphenyl)methyl]acetamide

C15H16N2O3 — CID 122189950

IUPAC2-anilino-N-[(3,4-dihydroxyphenyl)methyl]acetamide
SMILESO=C(CNc1ccccc1)NCc1ccc(O)c(O)c1
InChIInChI=1S/C15H16N2O3/c18-13-7-6-11(8-14(13)19)9-17-15(20)10-16-12-4-2-1-3-5-12/h1-8,16,18-19H,9-10H2,(H,17,20)
InChIKeyZSRFKOPNJLWSKJ-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.83
Rot. Bonds5

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

2-anilino-N-[(3,4-dihydroxyphenyl)methyl]acetamide (PubChem CID 122189950) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-anilino-N-[(3,4-dihydroxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-anilino-N-[(3,4-dihydroxyphenyl)methyl]acetamide
PubChem CID122189950
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-anilino-N-[(3,4-dihydroxyphenyl)methyl]acetamide
SMILESO=C(CNc1ccccc1)NCc1ccc(O)c(O)c1
InChIInChI=1S/C15H16N2O3/c18-13-7-6-11(8-14(13)19)9-17-15(20)10-16-12-4-2-1-3-5-12/h1-8,16,18-19H,9-10H2,(H,17,20)
InChIKeyZSRFKOPNJLWSKJ-UHFFFAOYSA-N
XLogP1.83
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.83
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'}

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Related Compounds

AG 494
CID 5328771
Tyrphostin deriv. 68
CID 5328780
(E)-3-(3,4-dihydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 13559594
4-[(2-Hydroxyanilino)methyl]benzene-1,2-diol
CID 21321401
(E)-3-(3,4-dihydroxyphenyl)-N-phenylprop-2-enamide
CID 44271421
(E)-3-(3,4-dihydroxyphenyl)-N-(3-hydroxyphenyl)prop-2-enamide
CID 44308844
(E)-3-(3,4-dihydroxyphenyl)-N-(4-methylphenyl)prop-2-enamide
CID 46703062
(E)-3-(3,4-dihydroxyphenyl)-N-(4-fluorophenyl)prop-2-enamide
CID 46861793
4-[(4-Nitroanilino)methyl]benzene-1,2-diol
CID 43719772
(E)-3-(3,4-dihydroxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 46703060
(E)-3-(3,4-dihydroxyphenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 46907509
2-anilino-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide
CID 135765525

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(3,4-dihydroxyphenyl)methyl]acetamide?
The IUPAC name of 2-anilino-N-[(3,4-dihydroxyphenyl)methyl]acetamide (CID 122189950) is 2-anilino-N-[(3,4-dihydroxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-anilino-N-[(3,4-dihydroxyphenyl)methyl]acetamide?
The canonical SMILES for 2-anilino-N-[(3,4-dihydroxyphenyl)methyl]acetamide is O=C(CNc1ccccc1)NCc1ccc(O)c(O)c1.
What is the InChIKey of 2-anilino-N-[(3,4-dihydroxyphenyl)methyl]acetamide?
The InChIKey is ZSRFKOPNJLWSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-13-7-6-11(8-14(13)19)9-17-15(20)10-16-12-4-2-1-3-5-12/h1-8,16,18-19H,9-10H2,(H,17,20).
What are the key properties of 2-anilino-N-[(3,4-dihydroxyphenyl)methyl]acetamide?
2-anilino-N-[(3,4-dihydroxyphenyl)methyl]acetamide has a molecular weight of 272.30 g/mol, XLogP of 1.83, 5 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)methyl]acetamide is sourced from PubChem (CID 122189950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).