(E)-N-benzyl-3-(3,4-dimethoxyphenyl)-N-ethylprop-2-enamide

C20H23NO3 — CID 6057475

IUPAC(E)-N-benzyl-3-(3,4-dimethoxyphenyl)-N-ethylprop-2-enamide
SMILESCCN(Cc1ccccc1)C(=O)/C=C/c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H23NO3/c1-4-21(15-17-8-6-5-7-9-17)20(22)13-11-16-10-12-18(23-2)19(14-16)24-3/h5-14H,4,15H2,1-3H3/b13-11+
InChIKeyJPSHWOJLNKGADD-ACCUITESSA-N
MW325.41 g/mol
LogP3.77
Rot. Bonds7

About (E)-N-benzyl-3-(3,4-dimethoxyphenyl)-N-ethylprop-2-enamide

(E)-N-benzyl-3-(3,4-dimethoxyphenyl)-N-ethylprop-2-enamide (PubChem CID 6057475) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (E)-N-benzyl-3-(3,4-dimethoxyphenyl)-N-ethylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-3-(3,4-dimethoxyphenyl)-N-ethylprop-2-enamide
PubChem CID6057475
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(E)-N-benzyl-3-(3,4-dimethoxyphenyl)-N-ethylprop-2-enamide
SMILESCCN(Cc1ccccc1)C(=O)/C=C/c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H23NO3/c1-4-21(15-17-8-6-5-7-9-17)20(22)13-11-16-10-12-18(23-2)19(14-16)24-3/h5-14H,4,15H2,1-3H3/b13-11+
InChIKeyJPSHWOJLNKGADD-ACCUITESSA-N
XLogP3.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibenzyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 76857554
N-benzyl-3-(4-ethoxy-3-methoxyphenyl)-N-methylprop-2-enamide
CID 719551
(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-benzyl-N-(cyanomethyl)prop-2-enamide
CID 55865826
(E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]prop-2-enamide
CID 35605636
N-benzyl-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-methylprop-2-enamide
CID 78774345
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 78792703
3-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 75910588
3-[4-(cyanomethoxy)-3-methoxyphenyl]-N,N-diethylprop-2-enamide
CID 75616904
N-[benzyl(methyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 3334235
(E)-N-benzyl-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-methylprop-2-enamide
CID 26534654
(E)-3-(3,4-dimethoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 22347490
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-3-(3,4-dimethoxyphenyl)-N-ethylprop-2-enamide?
The IUPAC name of (E)-N-benzyl-3-(3,4-dimethoxyphenyl)-N-ethylprop-2-enamide (CID 6057475) is (E)-N-benzyl-3-(3,4-dimethoxyphenyl)-N-ethylprop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-3-(3,4-dimethoxyphenyl)-N-ethylprop-2-enamide?
The canonical SMILES for (E)-N-benzyl-3-(3,4-dimethoxyphenyl)-N-ethylprop-2-enamide is CCN(Cc1ccccc1)C(=O)/C=C/c1ccc(OC)c(OC)c1.
What is the InChIKey of (E)-N-benzyl-3-(3,4-dimethoxyphenyl)-N-ethylprop-2-enamide?
The InChIKey is JPSHWOJLNKGADD-ACCUITESSA-N. The full InChI is InChI=1S/C20H23NO3/c1-4-21(15-17-8-6-5-7-9-17)20(22)13-11-16-10-12-18(23-2)19(14-16)24-3/h5-14H,4,15H2,1-3H3/b13-11+.
What are the key properties of (E)-N-benzyl-3-(3,4-dimethoxyphenyl)-N-ethylprop-2-enamide?
(E)-N-benzyl-3-(3,4-dimethoxyphenyl)-N-ethylprop-2-enamide has a molecular weight of 325.41 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-3-(3,4-dimethoxyphenyl)-N-ethylprop-2-enamide is sourced from PubChem (CID 6057475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).