(E)-3-(2,3,6,7-tetramethoxynaphthalen-1-yl)prop-2-enamide

C17H19NO5 — CID 170878033

IUPAC(E)-3-(2,3,6,7-tetramethoxynaphthalen-1-yl)prop-2-enamide
SMILESCOc1cc2cc(OC)c(OC)c(/C=C/C(N)=O)c2cc1OC
InChIInChI=1S/C17H19NO5/c1-20-13-7-10-8-15(22-3)17(23-4)11(5-6-16(18)19)12(10)9-14(13)21-2/h5-9H,1-4H3,(H2,18,19)/b6-5+
InChIKeyIYOMBQVSSPCZLS-AATRIKPKSA-N
MW317.34 g/mol
LogP2.37
Rot. Bonds6

About (E)-3-(2,3,6,7-tetramethoxynaphthalen-1-yl)prop-2-enamide

(E)-3-(2,3,6,7-tetramethoxynaphthalen-1-yl)prop-2-enamide (PubChem CID 170878033) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is (E)-3-(2,3,6,7-tetramethoxynaphthalen-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3,6,7-tetramethoxynaphthalen-1-yl)prop-2-enamide
PubChem CID170878033
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name(E)-3-(2,3,6,7-tetramethoxynaphthalen-1-yl)prop-2-enamide
SMILESCOc1cc2cc(OC)c(OC)c(/C=C/C(N)=O)c2cc1OC
InChIInChI=1S/C17H19NO5/c1-20-13-7-10-8-15(22-3)17(23-4)11(5-6-16(18)19)12(10)9-14(13)21-2/h5-9H,1-4H3,(H2,18,19)/b6-5+
InChIKeyIYOMBQVSSPCZLS-AATRIKPKSA-N
XLogP2.37
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxynaphthalen-1-yl)prop-2-enamide
CID 169482467
(E)-3-(6,7-dimethoxyisoquinolin-5-yl)prop-2-enoic acid
CID 82580109
(E)-3-(2,3-dimethoxynaphthalen-1-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 142740676
(E)-3-(4-bromo-3,5-dimethoxyphenyl)prop-2-enamide
CID 170876558
2,3,6,7-tetramethoxy-1-methylnaphthalene
CID 163473055
(E)-3-(6-methoxy-4-methyl-1,3-benzodioxol-5-yl)prop-2-enamide
CID 145174789
(2,3,10,11-tetramethoxyisoquinolino[2,1-b]isoquinolin-7-ium-9-yl) acetate chloride
CID 21417572
azane;3-(2-ethyl-3,4-dimethoxyphenyl)prop-2-enamide
CID 174556728
3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 169482902
3-(3-formyl-4-methoxyphenyl)prop-2-enamide
CID 169481994
3-(4-amino-2-chloro-5-methoxyphenyl)prop-2-enamide
CID 169482171
[4-[(E)-3-amino-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-chlorobenzoate
CID 91690018

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3,6,7-tetramethoxynaphthalen-1-yl)prop-2-enamide?
The IUPAC name of (E)-3-(2,3,6,7-tetramethoxynaphthalen-1-yl)prop-2-enamide (CID 170878033) is (E)-3-(2,3,6,7-tetramethoxynaphthalen-1-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,3,6,7-tetramethoxynaphthalen-1-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,3,6,7-tetramethoxynaphthalen-1-yl)prop-2-enamide is COc1cc2cc(OC)c(OC)c(/C=C/C(N)=O)c2cc1OC.
What is the InChIKey of (E)-3-(2,3,6,7-tetramethoxynaphthalen-1-yl)prop-2-enamide?
The InChIKey is IYOMBQVSSPCZLS-AATRIKPKSA-N. The full InChI is InChI=1S/C17H19NO5/c1-20-13-7-10-8-15(22-3)17(23-4)11(5-6-16(18)19)12(10)9-14(13)21-2/h5-9H,1-4H3,(H2,18,19)/b6-5+.
What are the key properties of (E)-3-(2,3,6,7-tetramethoxynaphthalen-1-yl)prop-2-enamide?
(E)-3-(2,3,6,7-tetramethoxynaphthalen-1-yl)prop-2-enamide has a molecular weight of 317.34 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3,6,7-tetramethoxynaphthalen-1-yl)prop-2-enamide is sourced from PubChem (CID 170878033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).