N-benzyl-2-(3,4-dimethoxyphenyl)acetamide

C17H19NO3 — CID 2253267

IUPACN-benzyl-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCc2ccccc2)cc1OC
InChIInChI=1S/C17H19NO3/c1-20-15-9-8-14(10-16(15)21-2)11-17(19)18-12-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyBPTROHUKBPKLBL-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.56
Rot. Bonds6

About N-benzyl-2-(3,4-dimethoxyphenyl)acetamide

N-benzyl-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 2253267) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-benzyl-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID2253267
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-benzyl-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCc2ccccc2)cc1OC
InChIInChI=1S/C17H19NO3/c1-20-15-9-8-14(10-16(15)21-2)11-17(19)18-12-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyBPTROHUKBPKLBL-UHFFFAOYSA-N
XLogP2.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-benzyl-2-(3,4-dimethoxyphenyl)acetamide (CID 2253267) is N-benzyl-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-benzyl-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-benzyl-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)NCc2ccccc2)cc1OC.
What is the InChIKey of N-benzyl-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is BPTROHUKBPKLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-20-15-9-8-14(10-16(15)21-2)11-17(19)18-12-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,18,19).
What are the key properties of N-benzyl-2-(3,4-dimethoxyphenyl)acetamide?
N-benzyl-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 285.34 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 2253267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).