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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Related Compounds

N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-4-methoxybenzamide
CID 126012683
2,6-dimethoxynaphthalene-1-carbaldehyde
CID 12583354
N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]aniline
CID 126015225
N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide
CID 7275569
N-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]acetamide
CID 21422515
methyl 2-(2,7-dimethoxynaphthalen-1-yl)-2-hydroxyacetate
CID 117442178
N-[4-(2,5-dimethoxyphenyl)but-3-enyl]acetamide
CID 170488942
(5E)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione
CID 696750
[4-[(E)-2-[5-[(E)-2-(4-acetyloxyphenyl)ethenyl]-6-methoxynaphthalen-2-yl]ethenyl]phenyl] acetate
CID 10576619
1-[(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-3-ethylthiourea
CID 5197013
(1E,6E)-1,7-bis(2,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552465
N-[(5Z)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
CID 137131200

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).