(E)-N-(3,5-dimethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide

C22H21NO4 — CID 9192243

IUPAC(E)-N-(3,5-dimethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2ccc3cc(OC)ccc3c2)cc(OC)c1
InChIInChI=1S/C22H21NO4/c1-25-19-8-7-16-10-15(4-6-17(16)11-19)5-9-22(24)23-18-12-20(26-2)14-21(13-18)27-3/h4-14H,1-3H3,(H,23,24)/b9-5+
InChIKeyZDKMYKPWDXPWCR-WEVVVXLNSA-N
MW363.41 g/mol
LogP4.52
Rot. Bonds6

About (E)-N-(3,5-dimethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide

(E)-N-(3,5-dimethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide (PubChem CID 9192243) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is (E)-N-(3,5-dimethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,5-dimethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
PubChem CID9192243
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name(E)-N-(3,5-dimethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2ccc3cc(OC)ccc3c2)cc(OC)c1
InChIInChI=1S/C22H21NO4/c1-25-19-8-7-16-10-15(4-6-17(16)11-19)5-9-22(24)23-18-12-20(26-2)14-21(13-18)27-3/h4-14H,1-3H3,(H,23,24)/b9-5+
InChIKeyZDKMYKPWDXPWCR-WEVVVXLNSA-N
XLogP4.52
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 874970
(E)-3-(4-cyanophenyl)-N-(3,5-dimethoxyphenyl)prop-2-enamide
CID 9096818
(E)-3-(6-methoxynaphthalen-2-yl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 34752671
(E)-3-(4-methoxyphenyl)-N-(2-methoxypyrimidin-5-yl)prop-2-enamide
CID 122301600
(E)-N-(3,5-dimethoxyphenyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 9096622
(E)-N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 790357
(E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 26688768
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
(E)-N-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 5404828
(E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 897806
(E)-3-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]-N-phenylprop-2-enamide
CID 59443460

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,5-dimethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3,5-dimethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide (CID 9192243) is (E)-N-(3,5-dimethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3,5-dimethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3,5-dimethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide is COc1cc(NC(=O)/C=C/c2ccc3cc(OC)ccc3c2)cc(OC)c1.
What is the InChIKey of (E)-N-(3,5-dimethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide?
The InChIKey is ZDKMYKPWDXPWCR-WEVVVXLNSA-N. The full InChI is InChI=1S/C22H21NO4/c1-25-19-8-7-16-10-15(4-6-17(16)11-19)5-9-22(24)23-18-12-20(26-2)14-21(13-18)27-3/h4-14H,1-3H3,(H,23,24)/b9-5+.
What are the key properties of (E)-N-(3,5-dimethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide?
(E)-N-(3,5-dimethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide has a molecular weight of 363.41 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,5-dimethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide is sourced from PubChem (CID 9192243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).