(E)-3-(4-acetamidophenyl)-N-benzyl-N-(2-methoxyethyl)prop-2-enamide

C21H24N2O3 — CID 46554937

IUPAC(E)-3-(4-acetamidophenyl)-N-benzyl-N-(2-methoxyethyl)prop-2-enamide
SMILESCOCCN(Cc1ccccc1)C(=O)/C=C/c1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H24N2O3/c1-17(24)22-20-11-8-18(9-12-20)10-13-21(25)23(14-15-26-2)16-19-6-4-3-5-7-19/h3-13H,14-16H2,1-2H3,(H,22,24)/b13-10+
InChIKeyYSASXITVVPVAPV-JLHYYAGUSA-N
MW352.43 g/mol
LogP3.33
Rot. Bonds8

About (E)-3-(4-acetamidophenyl)-N-benzyl-N-(2-methoxyethyl)prop-2-enamide

(E)-3-(4-acetamidophenyl)-N-benzyl-N-(2-methoxyethyl)prop-2-enamide (PubChem CID 46554937) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (E)-3-(4-acetamidophenyl)-N-benzyl-N-(2-methoxyethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-acetamidophenyl)-N-benzyl-N-(2-methoxyethyl)prop-2-enamide
PubChem CID46554937
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(E)-3-(4-acetamidophenyl)-N-benzyl-N-(2-methoxyethyl)prop-2-enamide
SMILESCOCCN(Cc1ccccc1)C(=O)/C=C/c1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H24N2O3/c1-17(24)22-20-11-8-18(9-12-20)10-13-21(25)23(14-15-26-2)16-19-6-4-3-5-7-19/h3-13H,14-16H2,1-2H3,(H,22,24)/b13-10+
InChIKeyYSASXITVVPVAPV-JLHYYAGUSA-N
XLogP3.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 4-acetamidobenzoate
CID 9015831
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
(E)-N-benzyl-N-[2-[benzyl-[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]ethyl]-3-(4-chlorophenyl)prop-2-enamide
CID 17195946
(E)-N-benzyl-3-cyclopropyl-N-(2-methoxyethyl)prop-2-enamide
CID 75494342
2-[benzyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 127020353
(E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide
CID 18077818
(E)-N-benzyl-N-(3-oxopropyl)-3-phenylprop-2-enamide
CID 11077226
(E)-3-(4-acetamidophenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 51339871
(E)-N-benzyl-3-(3,4-dimethoxyphenyl)-N-ethylprop-2-enamide
CID 6057475
(Z)-N-benzyl-3-(3-methoxyphenyl)-N-prop-2-enylprop-2-enamide
CID 126836586
3-(4-acetamidophenyl)-N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 76878663
3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 72688526

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-acetamidophenyl)-N-benzyl-N-(2-methoxyethyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-acetamidophenyl)-N-benzyl-N-(2-methoxyethyl)prop-2-enamide (CID 46554937) is (E)-3-(4-acetamidophenyl)-N-benzyl-N-(2-methoxyethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-acetamidophenyl)-N-benzyl-N-(2-methoxyethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-acetamidophenyl)-N-benzyl-N-(2-methoxyethyl)prop-2-enamide is COCCN(Cc1ccccc1)C(=O)/C=C/c1ccc(NC(C)=O)cc1.
What is the InChIKey of (E)-3-(4-acetamidophenyl)-N-benzyl-N-(2-methoxyethyl)prop-2-enamide?
The InChIKey is YSASXITVVPVAPV-JLHYYAGUSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-17(24)22-20-11-8-18(9-12-20)10-13-21(25)23(14-15-26-2)16-19-6-4-3-5-7-19/h3-13H,14-16H2,1-2H3,(H,22,24)/b13-10+.
What are the key properties of (E)-3-(4-acetamidophenyl)-N-benzyl-N-(2-methoxyethyl)prop-2-enamide?
(E)-3-(4-acetamidophenyl)-N-benzyl-N-(2-methoxyethyl)prop-2-enamide has a molecular weight of 352.43 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-acetamidophenyl)-N-benzyl-N-(2-methoxyethyl)prop-2-enamide is sourced from PubChem (CID 46554937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).