3-(3,4-dihydroxyphenyl)-N-(3,4-dimethylphenyl)-2-methylpropanamide

C18H21NO3 — CID 84578297

IUPAC3-(3,4-dihydroxyphenyl)-N-(3,4-dimethylphenyl)-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)Cc2ccc(O)c(O)c2)cc1C
InChIInChI=1S/C18H21NO3/c1-11-4-6-15(9-12(11)2)19-18(22)13(3)8-14-5-7-16(20)17(21)10-14/h4-7,9-10,13,20-21H,8H2,1-3H3,(H,19,22)
InChIKeyRRYATMFYFAPRSW-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.53
Rot. Bonds4

About 3-(3,4-dihydroxyphenyl)-N-(3,4-dimethylphenyl)-2-methylpropanamide

3-(3,4-dihydroxyphenyl)-N-(3,4-dimethylphenyl)-2-methylpropanamide (PubChem CID 84578297) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-(3,4-dihydroxyphenyl)-N-(3,4-dimethylphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(3,4-dihydroxyphenyl)-N-(3,4-dimethylphenyl)-2-methylpropanamide
PubChem CID84578297
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3-(3,4-dihydroxyphenyl)-N-(3,4-dimethylphenyl)-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)Cc2ccc(O)c(O)c2)cc1C
InChIInChI=1S/C18H21NO3/c1-11-4-6-15(9-12(11)2)19-18(22)13(3)8-14-5-7-16(20)17(21)10-14/h4-7,9-10,13,20-21H,8H2,1-3H3,(H,19,22)
InChIKeyRRYATMFYFAPRSW-UHFFFAOYSA-N
XLogP3.53
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

3-(3,4-dihydroxyphenyl)-2-methyl-N-(4-sulfamoylphenyl)propanamide
CID 84578792
3-(3,4-dihydroxyphenyl)-N-(4-hydroxy-2-methylphenyl)-2-methylpropanamide
CID 84578793
N-(1,3-benzothiazol-6-yl)-3-(3,4-dihydroxyphenyl)-2-methylpropanamide
CID 112525772
(2S)-N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228270
N-(3,4-dimethylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62852690
3-(3,4-dihydroxyphenyl)-2-methyl-N-(5-methyl-1H-pyrazol-4-yl)propanamide
CID 112521695
4-(3,4-dihydroxyphenyl)-3-methylbutan-2-one
CID 77410272
4-amino-N-(3,4-dimethylphenyl)-2-methyl-4-sulfanylidenebutanamide
CID 82119335
(2R)-2-amino-N-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 104905420
3-(3,4-dihydroxyphenyl)-2-(2-methylpropanoylamino)propanoic acid
CID 61069314
[4-[(2S)-2-amino-3-(3,4-dimethylanilino)-3-oxopropyl]phenyl]boronic acid
CID 169082273
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydroxyphenyl)-N-(3,4-dimethylphenyl)-2-methylpropanamide?
The IUPAC name of 3-(3,4-dihydroxyphenyl)-N-(3,4-dimethylphenyl)-2-methylpropanamide (CID 84578297) is 3-(3,4-dihydroxyphenyl)-N-(3,4-dimethylphenyl)-2-methylpropanamide.
What is the SMILES notation for 3-(3,4-dihydroxyphenyl)-N-(3,4-dimethylphenyl)-2-methylpropanamide?
The canonical SMILES for 3-(3,4-dihydroxyphenyl)-N-(3,4-dimethylphenyl)-2-methylpropanamide is Cc1ccc(NC(=O)C(C)Cc2ccc(O)c(O)c2)cc1C.
What is the InChIKey of 3-(3,4-dihydroxyphenyl)-N-(3,4-dimethylphenyl)-2-methylpropanamide?
The InChIKey is RRYATMFYFAPRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-11-4-6-15(9-12(11)2)19-18(22)13(3)8-14-5-7-16(20)17(21)10-14/h4-7,9-10,13,20-21H,8H2,1-3H3,(H,19,22).
What are the key properties of 3-(3,4-dihydroxyphenyl)-N-(3,4-dimethylphenyl)-2-methylpropanamide?
3-(3,4-dihydroxyphenyl)-N-(3,4-dimethylphenyl)-2-methylpropanamide has a molecular weight of 299.37 g/mol, XLogP of 3.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydroxyphenyl)-N-(3,4-dimethylphenyl)-2-methylpropanamide is sourced from PubChem (CID 84578297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).