(E)-N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-phenylprop-2-enamide

C26H26N2O2 — CID 16583449

IUPAC(E)-N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-phenylprop-2-enamide
SMILESCC(=O)Nc1cccc(C(C)N(Cc2ccccc2)C(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C26H26N2O2/c1-20(24-14-9-15-25(18-24)27-21(2)29)28(19-23-12-7-4-8-13-23)26(30)17-16-22-10-5-3-6-11-22/h3-18,20H,19H2,1-2H3,(H,27,29)/b17-16+
InChIKeyODUAGBAKCVWKGM-WUKNDPDISA-N
MW398.51 g/mol
LogP5.45
Rot. Bonds7

About (E)-N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-phenylprop-2-enamide

(E)-N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-phenylprop-2-enamide (PubChem CID 16583449) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is (E)-N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-phenylprop-2-enamide
PubChem CID16583449
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name(E)-N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-phenylprop-2-enamide
SMILESCC(=O)Nc1cccc(C(C)N(Cc2ccccc2)C(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C26H26N2O2/c1-20(24-14-9-15-25(18-24)27-21(2)29)28(19-23-12-7-4-8-13-23)26(30)17-16-22-10-5-3-6-11-22/h3-18,20H,19H2,1-2H3,(H,27,29)/b17-16+
InChIKeyODUAGBAKCVWKGM-WUKNDPDISA-N
XLogP5.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-methylbutanamide
CID 55505497
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(prop-2-enoylamino)benzamide
CID 167864313
N-[(1S)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-methoxyphenyl)acetamide
CID 30126182
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 16611716
N-[(1R)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2,3-dimethylphenoxy)acetamide
CID 41046714
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(2-oxo-1-pyridinyl)propanamide
CID 86979589
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55504888
N-[3-[2-[1-(3-acetamidophenyl)ethyl-benzylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55633083
2-[[(1S)-1-(3-acetamidophenyl)ethyl]-benzylamino]-N-prop-2-ynylacetamide
CID 51932586
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide
CID 55668527
4-[(E)-3-[benzyl(butan-2-yl)amino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134002752
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 55505752

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-phenylprop-2-enamide (CID 16583449) is (E)-N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-phenylprop-2-enamide is CC(=O)Nc1cccc(C(C)N(Cc2ccccc2)C(=O)/C=C/c2ccccc2)c1.
What is the InChIKey of (E)-N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-phenylprop-2-enamide?
The InChIKey is ODUAGBAKCVWKGM-WUKNDPDISA-N. The full InChI is InChI=1S/C26H26N2O2/c1-20(24-14-9-15-25(18-24)27-21(2)29)28(19-23-12-7-4-8-13-23)26(30)17-16-22-10-5-3-6-11-22/h3-18,20H,19H2,1-2H3,(H,27,29)/b17-16+.
What are the key properties of (E)-N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-phenylprop-2-enamide?
(E)-N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-phenylprop-2-enamide has a molecular weight of 398.51 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-phenylprop-2-enamide is sourced from PubChem (CID 16583449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).