3-(4-acetamidophenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide

C23H28N2O3 — CID 72689503

IUPAC3-(4-acetamidophenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide
SMILESCCN(C(=O)C=Cc1ccc(NC(C)=O)cc1)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C23H28N2O3/c1-5-25(17(2)16-20-8-13-22(28-4)14-9-20)23(27)15-10-19-6-11-21(12-7-19)24-18(3)26/h6-15,17H,5,16H2,1-4H3,(H,24,26)
InChIKeyUPIRDBIYSHBKIU-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.15
Rot. Bonds8

About 3-(4-acetamidophenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide

3-(4-acetamidophenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide (PubChem CID 72689503) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-(4-acetamidophenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name3-(4-acetamidophenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide
PubChem CID72689503
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name3-(4-acetamidophenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide
SMILESCCN(C(=O)C=Cc1ccc(NC(C)=O)cc1)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C23H28N2O3/c1-5-25(17(2)16-20-8-13-22(28-4)14-9-20)23(27)15-10-19-6-11-21(12-7-19)24-18(3)26/h6-15,17H,5,16H2,1-4H3,(H,24,26)
InChIKeyUPIRDBIYSHBKIU-UHFFFAOYSA-N
XLogP4.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.15
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

N-[4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]methyl]phenyl]acetamide
CID 23848174
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-propan-2-ylamino]acetic acid
CID 60830331
(E)-3-(4-acetamidophenyl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide
CID 35687554
(E)-3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 7936691
(E)-N-ethyl-3-(4-methoxyphenyl)-N-(2-sulfanylpropyl)prop-2-enamide
CID 146661377
(E)-3-(4-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 954315
(E)-3-(4-methoxyphenyl)-N-[(2R)-1-phenylpropan-2-yl]prop-2-enamide
CID 757128
3-[ethyl-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 61008451
N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 54257265
3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide
CID 3500968
N-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1293099
(E)-N-[[4-(diethylamino)phenyl]methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 100509478

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidophenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide?
The IUPAC name of 3-(4-acetamidophenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide (CID 72689503) is 3-(4-acetamidophenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide.
What is the SMILES notation for 3-(4-acetamidophenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide?
The canonical SMILES for 3-(4-acetamidophenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide is CCN(C(=O)C=Cc1ccc(NC(C)=O)cc1)C(C)Cc1ccc(OC)cc1.
What is the InChIKey of 3-(4-acetamidophenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide?
The InChIKey is UPIRDBIYSHBKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-5-25(17(2)16-20-8-13-22(28-4)14-9-20)23(27)15-10-19-6-11-21(12-7-19)24-18(3)26/h6-15,17H,5,16H2,1-4H3,(H,24,26).
What are the key properties of 3-(4-acetamidophenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide?
3-(4-acetamidophenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide has a molecular weight of 380.49 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidophenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide is sourced from PubChem (CID 72689503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).