(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxynaphthalen-1-yl)prop-2-enamide

C24H25NO4 — CID 11326773

IUPAC(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxynaphthalen-1-yl)prop-2-enamide
SMILESCOc1ccc(CCNC(=O)/C=C/c2ccc(OC)c3ccccc23)cc1OC
InChIInChI=1S/C24H25NO4/c1-27-21-12-9-18(19-6-4-5-7-20(19)21)10-13-24(26)25-15-14-17-8-11-22(28-2)23(16-17)29-3/h4-13,16H,14-15H2,1-3H3,(H,25,26)/b13-10+
InChIKeyPOGKCQNGMPAQAL-JLHYYAGUSA-N
MW391.47 g/mol
LogP4.24
Rot. Bonds8

About (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxynaphthalen-1-yl)prop-2-enamide

(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxynaphthalen-1-yl)prop-2-enamide (PubChem CID 11326773) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxynaphthalen-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxynaphthalen-1-yl)prop-2-enamide
PubChem CID11326773
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxynaphthalen-1-yl)prop-2-enamide
SMILESCOc1ccc(CCNC(=O)/C=C/c2ccc(OC)c3ccccc23)cc1OC
InChIInChI=1S/C24H25NO4/c1-27-21-12-9-18(19-6-4-5-7-20(19)21)10-13-24(26)25-15-14-17-8-11-22(28-2)23(16-17)29-3/h4-13,16H,14-15H2,1-3H3,(H,25,26)/b13-10+
InChIKeyPOGKCQNGMPAQAL-JLHYYAGUSA-N
XLogP4.24
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-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

(E)-3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 1178359
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 4646130
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 66805220
(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]prop-2-enamide
CID 121395814
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 5141905
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6282757
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide
CID 34908473
(Z)-3-(3,4-dihydroxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 23276568
3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethylphenyl)ethyl]prop-2-enamide
CID 123868458
(E)-3-(4-acetamidophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 31254061
(E)-3-(5-butoxy-4-methoxy-2-methylphenyl)-N-[2-(3-butoxy-4-methoxyphenyl)ethyl]prop-2-enamide
CID 121432743
(E)-3-(2-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 768479

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxynaphthalen-1-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxynaphthalen-1-yl)prop-2-enamide (CID 11326773) is (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxynaphthalen-1-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxynaphthalen-1-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxynaphthalen-1-yl)prop-2-enamide is COc1ccc(CCNC(=O)/C=C/c2ccc(OC)c3ccccc23)cc1OC.
What is the InChIKey of (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxynaphthalen-1-yl)prop-2-enamide?
The InChIKey is POGKCQNGMPAQAL-JLHYYAGUSA-N. The full InChI is InChI=1S/C24H25NO4/c1-27-21-12-9-18(19-6-4-5-7-20(19)21)10-13-24(26)25-15-14-17-8-11-22(28-2)23(16-17)29-3/h4-13,16H,14-15H2,1-3H3,(H,25,26)/b13-10+.
What are the key properties of (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxynaphthalen-1-yl)prop-2-enamide?
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxynaphthalen-1-yl)prop-2-enamide has a molecular weight of 391.47 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxynaphthalen-1-yl)prop-2-enamide is sourced from PubChem (CID 11326773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).