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

C15H23NO3 — CID 795486

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(CCNC(=O)C(C)(C)C)cc1OC
InChIInChI=1S/C15H23NO3/c1-15(2,3)14(17)16-9-8-11-6-7-12(18-4)13(10-11)19-5/h6-7,10H,8-9H2,1-5H3,(H,16,17)
InChIKeyVIFJQAYJHWCHNX-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.41
Rot. Bonds5

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanamide (PubChem CID 795486) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanamide
PubChem CID795486
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(CCNC(=O)C(C)(C)C)cc1OC
InChIInChI=1S/C15H23NO3/c1-15(2,3)14(17)16-9-8-11-6-7-12(18-4)13(10-11)19-5/h6-7,10H,8-9H2,1-5H3,(H,16,17)
InChIKeyVIFJQAYJHWCHNX-UHFFFAOYSA-N
XLogP2.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.41
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]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanamide (CID 795486) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanamide is COc1ccc(CCNC(=O)C(C)(C)C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is VIFJQAYJHWCHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2,3)14(17)16-9-8-11-6-7-12(18-4)13(10-11)19-5/h6-7,10H,8-9H2,1-5H3,(H,16,17).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 265.35 g/mol, XLogP of 2.41, 5 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]-2,2-dimethylpropanamide is sourced from PubChem (CID 795486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).