N-[(E)-2-(2,7-dimethoxynaphthalen-1-yl)ethenyl]acetamide

C16H17NO3 — CID 71533431

IUPACN-[(E)-2-(2,7-dimethoxynaphthalen-1-yl)ethenyl]acetamide
SMILESCOc1ccc2ccc(OC)c(/C=C/NC(C)=O)c2c1
InChIInChI=1S/C16H17NO3/c1-11(18)17-9-8-14-15-10-13(19-2)6-4-12(15)5-7-16(14)20-3/h4-10H,1-3H3,(H,17,18)/b9-8+
InChIKeyHMYFXYOFPXZULT-CMDGGOBGSA-N
MW271.32 g/mol
LogP2.96
Rot. Bonds4

About N-[(E)-2-(2,7-dimethoxynaphthalen-1-yl)ethenyl]acetamide

N-[(E)-2-(2,7-dimethoxynaphthalen-1-yl)ethenyl]acetamide (PubChem CID 71533431) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(E)-2-(2,7-dimethoxynaphthalen-1-yl)ethenyl]acetamide.

Molecular Properties

Compound NameN-[(E)-2-(2,7-dimethoxynaphthalen-1-yl)ethenyl]acetamide
PubChem CID71533431
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-[(E)-2-(2,7-dimethoxynaphthalen-1-yl)ethenyl]acetamide
SMILESCOc1ccc2ccc(OC)c(/C=C/NC(C)=O)c2c1
InChIInChI=1S/C16H17NO3/c1-11(18)17-9-8-14-15-10-13(19-2)6-4-12(15)5-7-16(14)20-3/h4-10H,1-3H3,(H,17,18)/b9-8+
InChIKeyHMYFXYOFPXZULT-CMDGGOBGSA-N
XLogP2.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(2,7-dimethoxynaphthalen-1-yl)ethenyl]acetamide?
The IUPAC name of N-[(E)-2-(2,7-dimethoxynaphthalen-1-yl)ethenyl]acetamide (CID 71533431) is N-[(E)-2-(2,7-dimethoxynaphthalen-1-yl)ethenyl]acetamide.
What is the SMILES notation for N-[(E)-2-(2,7-dimethoxynaphthalen-1-yl)ethenyl]acetamide?
The canonical SMILES for N-[(E)-2-(2,7-dimethoxynaphthalen-1-yl)ethenyl]acetamide is COc1ccc2ccc(OC)c(/C=C/NC(C)=O)c2c1.
What is the InChIKey of N-[(E)-2-(2,7-dimethoxynaphthalen-1-yl)ethenyl]acetamide?
The InChIKey is HMYFXYOFPXZULT-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11(18)17-9-8-14-15-10-13(19-2)6-4-12(15)5-7-16(14)20-3/h4-10H,1-3H3,(H,17,18)/b9-8+.
What are the key properties of N-[(E)-2-(2,7-dimethoxynaphthalen-1-yl)ethenyl]acetamide?
N-[(E)-2-(2,7-dimethoxynaphthalen-1-yl)ethenyl]acetamide has a molecular weight of 271.32 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(2,7-dimethoxynaphthalen-1-yl)ethenyl]acetamide is sourced from PubChem (CID 71533431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).