N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide

C19H23NO3 — CID 894935

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
SMILESCOc1ccc(CCNC(=O)Cc2ccc(C)cc2)cc1OC
InChIInChI=1S/C19H23NO3/c1-14-4-6-15(7-5-14)13-19(21)20-11-10-16-8-9-17(22-2)18(12-16)23-3/h4-9,12H,10-11,13H2,1-3H3,(H,20,21)
InChIKeyHXKPBTLIIXTNEU-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.91
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide (PubChem CID 894935) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
PubChem CID894935
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
SMILESCOc1ccc(CCNC(=O)Cc2ccc(C)cc2)cc1OC
InChIInChI=1S/C19H23NO3/c1-14-4-6-15(7-5-14)13-19(21)20-11-10-16-8-9-17(22-2)18(12-16)23-3/h4-9,12H,10-11,13H2,1-3H3,(H,20,21)
InChIKeyHXKPBTLIIXTNEU-UHFFFAOYSA-N
XLogP2.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide (CID 894935) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide is COc1ccc(CCNC(=O)Cc2ccc(C)cc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide?
The InChIKey is HXKPBTLIIXTNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14-4-6-15(7-5-14)13-19(21)20-11-10-16-8-9-17(22-2)18(12-16)23-3/h4-9,12H,10-11,13H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide has a molecular weight of 313.40 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 894935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).