2-(3,4-dihydroxyphenyl)-N-[3-(3,4-dimethylphenyl)propyl]acetamide

C19H23NO3 — CID 10425731

IUPAC2-(3,4-dihydroxyphenyl)-N-[3-(3,4-dimethylphenyl)propyl]acetamide
SMILESCc1ccc(CCCNC(=O)Cc2ccc(O)c(O)c2)cc1C
InChIInChI=1S/C19H23NO3/c1-13-5-6-15(10-14(13)2)4-3-9-20-19(23)12-16-7-8-17(21)18(22)11-16/h5-8,10-11,21-22H,3-4,9,12H2,1-2H3,(H,20,23)
InChIKeyHAYNNBVALISBIE-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.01
Rot. Bonds6

About 2-(3,4-dihydroxyphenyl)-N-[3-(3,4-dimethylphenyl)propyl]acetamide

2-(3,4-dihydroxyphenyl)-N-[3-(3,4-dimethylphenyl)propyl]acetamide (PubChem CID 10425731) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-N-[3-(3,4-dimethylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydroxyphenyl)-N-[3-(3,4-dimethylphenyl)propyl]acetamide
PubChem CID10425731
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-(3,4-dihydroxyphenyl)-N-[3-(3,4-dimethylphenyl)propyl]acetamide
SMILESCc1ccc(CCCNC(=O)Cc2ccc(O)c(O)c2)cc1C
InChIInChI=1S/C19H23NO3/c1-13-5-6-15(10-14(13)2)4-3-9-20-19(23)12-16-7-8-17(21)18(22)11-16/h5-8,10-11,21-22H,3-4,9,12H2,1-2H3,(H,20,23)
InChIKeyHAYNNBVALISBIE-UHFFFAOYSA-N
XLogP3.01
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)-N-[3-(3,4-dimethylphenyl)propyl]acetamide?
The IUPAC name of 2-(3,4-dihydroxyphenyl)-N-[3-(3,4-dimethylphenyl)propyl]acetamide (CID 10425731) is 2-(3,4-dihydroxyphenyl)-N-[3-(3,4-dimethylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(3,4-dihydroxyphenyl)-N-[3-(3,4-dimethylphenyl)propyl]acetamide?
The canonical SMILES for 2-(3,4-dihydroxyphenyl)-N-[3-(3,4-dimethylphenyl)propyl]acetamide is Cc1ccc(CCCNC(=O)Cc2ccc(O)c(O)c2)cc1C.
What is the InChIKey of 2-(3,4-dihydroxyphenyl)-N-[3-(3,4-dimethylphenyl)propyl]acetamide?
The InChIKey is HAYNNBVALISBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-13-5-6-15(10-14(13)2)4-3-9-20-19(23)12-16-7-8-17(21)18(22)11-16/h5-8,10-11,21-22H,3-4,9,12H2,1-2H3,(H,20,23).
What are the key properties of 2-(3,4-dihydroxyphenyl)-N-[3-(3,4-dimethylphenyl)propyl]acetamide?
2-(3,4-dihydroxyphenyl)-N-[3-(3,4-dimethylphenyl)propyl]acetamide has a molecular weight of 313.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxyphenyl)-N-[3-(3,4-dimethylphenyl)propyl]acetamide is sourced from PubChem (CID 10425731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).