ethane;(E)-3-(7-methoxynaphthalen-1-yl)prop-2-enamide

C18H25NO2 — CID 144612318

IUPACethane;(E)-3-(7-methoxynaphthalen-1-yl)prop-2-enamide
SMILESCC.CC.COc1ccc2cccc(/C=C/C(N)=O)c2c1
InChIInChI=1S/C14H13NO2.2C2H6/c1-17-12-7-5-10-3-2-4-11(13(10)9-12)6-8-14(15)16;2*1-2/h2-9H,1H3,(H2,15,16);2*1-2H3/b8-6+;;
InChIKeyWKVNVGCCJDGPLX-OVGXCEQFSA-N
MW287.40 g/mol
LogP4.40
Rot. Bonds3

About ethane;(E)-3-(7-methoxynaphthalen-1-yl)prop-2-enamide

ethane;(E)-3-(7-methoxynaphthalen-1-yl)prop-2-enamide (PubChem CID 144612318) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is ethane;(E)-3-(7-methoxynaphthalen-1-yl)prop-2-enamide.

Molecular Properties

Compound Nameethane;(E)-3-(7-methoxynaphthalen-1-yl)prop-2-enamide
PubChem CID144612318
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Nameethane;(E)-3-(7-methoxynaphthalen-1-yl)prop-2-enamide
SMILESCC.CC.COc1ccc2cccc(/C=C/C(N)=O)c2c1
InChIInChI=1S/C14H13NO2.2C2H6/c1-17-12-7-5-10-3-2-4-11(13(10)9-12)6-8-14(15)16;2*1-2/h2-9H,1H3,(H2,15,16);2*1-2H3/b8-6+;;
InChIKeyWKVNVGCCJDGPLX-OVGXCEQFSA-N
XLogP4.40
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethane;(E)-3-(7-methoxynaphthalen-1-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-anthracen-1-ylprop-2-enamide
CID 118453469
3-tetracen-1-ylprop-2-enamide
CID 118453445
(E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enamide
CID 55266805
3-(2-formyl-4-methoxyphenyl)prop-2-enamide
CID 169481996
3-(6-methoxyquinolin-2-yl)prop-2-enamide
CID 175848652
(E)-3-(2,6-dimethoxyquinolin-3-yl)prop-2-enamide
CID 170878117
N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 680988
benzyl [8-[(E)-3-oxobut-1-enyl]naphthalen-2-yl] carbonate
CID 176830359
3-(2-methoxynaphthalen-1-yl)prop-2-enamide
CID 169482467
2-(7-methoxynaphthalen-1-yl)butanamide
CID 57299738
3-(7-methoxynaphthalen-1-yl)butanamide
CID 57236760
5-(7-methoxynaphthalen-1-yl)pentanamide
CID 67627444

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-3-(7-methoxynaphthalen-1-yl)prop-2-enamide?
The IUPAC name of ethane;(E)-3-(7-methoxynaphthalen-1-yl)prop-2-enamide (CID 144612318) is ethane;(E)-3-(7-methoxynaphthalen-1-yl)prop-2-enamide.
What is the SMILES notation for ethane;(E)-3-(7-methoxynaphthalen-1-yl)prop-2-enamide?
The canonical SMILES for ethane;(E)-3-(7-methoxynaphthalen-1-yl)prop-2-enamide is CC.CC.COc1ccc2cccc(/C=C/C(N)=O)c2c1.
What is the InChIKey of ethane;(E)-3-(7-methoxynaphthalen-1-yl)prop-2-enamide?
The InChIKey is WKVNVGCCJDGPLX-OVGXCEQFSA-N. The full InChI is InChI=1S/C14H13NO2.2C2H6/c1-17-12-7-5-10-3-2-4-11(13(10)9-12)6-8-14(15)16;2*1-2/h2-9H,1H3,(H2,15,16);2*1-2H3/b8-6+;;.
What are the key properties of ethane;(E)-3-(7-methoxynaphthalen-1-yl)prop-2-enamide?
ethane;(E)-3-(7-methoxynaphthalen-1-yl)prop-2-enamide has a molecular weight of 287.40 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-3-(7-methoxynaphthalen-1-yl)prop-2-enamide is sourced from PubChem (CID 144612318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).