N-(4-acetamidophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

C20H21N3O3 — CID 51160433

IUPACN-(4-acetamidophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)NC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C20H21N3O3/c1-14(21-19(25)13-8-16-6-4-3-5-7-16)20(26)23-18-11-9-17(10-12-18)22-15(2)24/h3-14H,1-2H3,(H,21,25)(H,22,24)(H,23,26)/b13-8+
InChIKeyKJYRBLBYJSPYND-MDWZMJQESA-N
MW351.41 g/mol
LogP2.80
Rot. Bonds6

About N-(4-acetamidophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

N-(4-acetamidophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide (PubChem CID 51160433) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
PubChem CID51160433
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(4-acetamidophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)NC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C20H21N3O3/c1-14(21-19(25)13-8-16-6-4-3-5-7-16)20(26)23-18-11-9-17(10-12-18)22-15(2)24/h3-14H,1-2H3,(H,21,25)(H,22,24)(H,23,26)/b13-8+
InChIKeyKJYRBLBYJSPYND-MDWZMJQESA-N
XLogP2.80
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
CID 8940116
N-(4-methoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51161656
methyl 4-[[(2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]benzoate
CID 9068812
N-methyl-2-(3-phenylprop-2-enoylamino)propanamide
CID 75266241
(2S)-N-[4-(cyanomethyl)phenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 9260813
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
CID 8940339
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
CID 8939556
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 55381351
(E)-N-[(2S)-1-oxo-1-[2-[(4-propan-2-ylphenyl)carbamothioyl]hydrazinyl]propan-2-yl]-3-phenylprop-2-enamide
CID 9271834
N-(3,4-dipropoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 55350434
(2S)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 38084227
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 42941670

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide (CID 51160433) is N-(4-acetamidophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide is CC(=O)Nc1ccc(NC(=O)C(C)NC(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The InChIKey is KJYRBLBYJSPYND-MDWZMJQESA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14(21-19(25)13-8-16-6-4-3-5-7-16)20(26)23-18-11-9-17(10-12-18)22-15(2)24/h3-14H,1-2H3,(H,21,25)(H,22,24)(H,23,26)/b13-8+.
What are the key properties of N-(4-acetamidophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
N-(4-acetamidophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide has a molecular weight of 351.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide is sourced from PubChem (CID 51160433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).