(E)-N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide

C21H25NO4 — CID 132653574

IUPAC(E)-N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCCC(NC(=O)/C=C/c1ccccc1OC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H25NO4/c1-5-17(16-10-12-19(25-3)20(14-16)26-4)22-21(23)13-11-15-8-6-7-9-18(15)24-2/h6-14,17H,5H2,1-4H3,(H,22,23)/b13-11+
InChIKeyUMWSVNGYWSSCHV-ACCUITESSA-N
MW355.43 g/mol
LogP3.99
Rot. Bonds8

About (E)-N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide

(E)-N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 132653574) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is (E)-N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID132653574
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name(E)-N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCCC(NC(=O)/C=C/c1ccccc1OC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H25NO4/c1-5-17(16-10-12-19(25-3)20(14-16)26-4)22-21(23)13-11-15-8-6-7-9-18(15)24-2/h6-14,17H,5H2,1-4H3,(H,22,23)/b13-11+
InChIKeyUMWSVNGYWSSCHV-ACCUITESSA-N
XLogP3.99
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.99
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-[1-(4-methoxy-3-methylphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 133161398
(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 9297337
(E)-N-[1-(4-butan-2-ylphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 17371624
(E)-N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]propyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 40618833
(E)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 92672766
(E)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]prop-2-enamide
CID 99998752
(E)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 110001866
(E)-N-[1-(4-methoxy-3-methylphenyl)propyl]-3-phenylprop-2-enamide
CID 133158369
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220
3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]prop-2-enamide
CID 55908254
(E)-3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 17329451
(E)-3-(2-chlorophenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 30381442

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide (CID 132653574) is (E)-N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide is CCC(NC(=O)/C=C/c1ccccc1OC)c1ccc(OC)c(OC)c1.
What is the InChIKey of (E)-N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is UMWSVNGYWSSCHV-ACCUITESSA-N. The full InChI is InChI=1S/C21H25NO4/c1-5-17(16-10-12-19(25-3)20(14-16)26-4)22-21(23)13-11-15-8-6-7-9-18(15)24-2/h6-14,17H,5H2,1-4H3,(H,22,23)/b13-11+.
What are the key properties of (E)-N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide?
(E)-N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 355.43 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 132653574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).