N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2,4,6-trimethylphenyl)acetamide

C19H23NO3 — CID 122159315

IUPACN-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(CC(=O)NCCc2ccc(O)c(O)c2)c(C)c1
InChIInChI=1S/C19H23NO3/c1-12-8-13(2)16(14(3)9-12)11-19(23)20-7-6-15-4-5-17(21)18(22)10-15/h4-5,8-10,21-22H,6-7,11H2,1-3H3,(H,20,23)
InChIKeyABKAZKYGFDLVMF-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.92
Rot. Bonds5

About N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2,4,6-trimethylphenyl)acetamide

N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2,4,6-trimethylphenyl)acetamide (PubChem CID 122159315) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2,4,6-trimethylphenyl)acetamide
PubChem CID122159315
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(CC(=O)NCCc2ccc(O)c(O)c2)c(C)c1
InChIInChI=1S/C19H23NO3/c1-12-8-13(2)16(14(3)9-12)11-19(23)20-7-6-15-4-5-17(21)18(22)10-15/h4-5,8-10,21-22H,6-7,11H2,1-3H3,(H,20,23)
InChIKeyABKAZKYGFDLVMF-UHFFFAOYSA-N
XLogP2.92
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.92
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

2-[4-[2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 120528979
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-methoxypropanamide
CID 90161790
2-(3,4-dihydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113199037
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 78796855
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-methylbenzamide
CID 78796412
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 112771444
N-(2-acetamidoethyl)-2-(3,4-dihydroxyphenyl)acetamide
CID 144547616
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-hydroxypropanamide
CID 69294862
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 78796880
N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 4142764
N-[2-(3,4-dihydroxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 25199546
2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl carbamate
CID 86787902

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2,4,6-trimethylphenyl)acetamide (CID 122159315) is N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(CC(=O)NCCc2ccc(O)c(O)c2)c(C)c1.
What is the InChIKey of N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is ABKAZKYGFDLVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-12-8-13(2)16(14(3)9-12)11-19(23)20-7-6-15-4-5-17(21)18(22)10-15/h4-5,8-10,21-22H,6-7,11H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2,4,6-trimethylphenyl)acetamide?
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 313.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 122159315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).