2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide

C19H19N3O3 — CID 3527723

IUPAC2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide
SMILESCC(=O)NC(=Cc1ccccc1)C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H19N3O3/c1-13(23)20-16-8-10-17(11-9-16)22-19(25)18(21-14(2)24)12-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyLIRDLDQRLWXBLL-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.76
Rot. Bonds5

About 2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide

2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide (PubChem CID 3527723) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide
PubChem CID3527723
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide
SMILESCC(=O)NC(=Cc1ccccc1)C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H19N3O3/c1-13(23)20-16-8-10-17(11-9-16)22-19(25)18(21-14(2)24)12-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyLIRDLDQRLWXBLL-UHFFFAOYSA-N
XLogP2.76
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.76
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

(Z)-2-acetamido-3-phenyl-N-(4-phenylphenyl)prop-2-enamide
CID 9206311
(Z)-2-acetamido-N-(4-methoxyphenyl)-3-phenylprop-2-enamide
CID 5371270
(E)-2-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide
CID 34033287
(Z)-2-acetamido-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide
CID 8767931
(Z)-2-acetamido-N-(3-hydroxyphenyl)-3-phenylprop-2-enamide
CID 6537620
2-acetamido-N-(2-hydroxyphenyl)-3-phenylprop-2-enamide
CID 4947897
2-acetamido-N-(3-chloro-4-fluorophenyl)-3-phenylprop-2-enamide
CID 4947913
(Z)-2-acetamido-N-[4-(2-ethoxyethoxy)phenyl]-3-phenylprop-2-enamide
CID 17130603
N-(3-hydrazinyl-3-oxo-1-phenylprop-1-en-2-yl)acetamide
CID 53412410
(Z)-2-acetamido-N-(9H-fluoren-3-yl)-3-phenylprop-2-enamide
CID 9378259
2-[(2-acetamido-3-phenylprop-2-enoyl)amino]benzoic acid
CID 139795518
(Z)-2-acetamido-N-(2-chlorophenyl)-3-phenylprop-2-enamide
CID 21226623

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide?
The IUPAC name of 2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide (CID 3527723) is 2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for 2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide?
The canonical SMILES for 2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide is CC(=O)NC(=Cc1ccccc1)C(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of 2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide?
The InChIKey is LIRDLDQRLWXBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13(23)20-16-8-10-17(11-9-16)22-19(25)18(21-14(2)24)12-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of 2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide?
2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide has a molecular weight of 337.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 3527723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).