3-[(Z)-2-acetamido-3-phenylprop-2-enoyl]oxypropyl (Z)-2-acetamido-3-phenylprop-2-enoate

C25H26N2O6 — CID 24671715

IUPAC3-[(Z)-2-acetamido-3-phenylprop-2-enoyl]oxypropyl (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)OCCCOC(=O)/C(=C/c1ccccc1)NC(C)=O
InChIInChI=1S/C25H26N2O6/c1-18(28)26-22(16-20-10-5-3-6-11-20)24(30)32-14-9-15-33-25(31)23(27-19(2)29)17-21-12-7-4-8-13-21/h3-8,10-13,16-17H,9,14-15H2,1-2H3,(H,26,28)(H,27,29)/b22-16-,23-17-
InChIKeyFHQYDPYQSNNWGQ-IDUDEYGOSA-N
MW450.49 g/mol
LogP2.82
Rot. Bonds10

About 3-[(Z)-2-acetamido-3-phenylprop-2-enoyl]oxypropyl (Z)-2-acetamido-3-phenylprop-2-enoate

3-[(Z)-2-acetamido-3-phenylprop-2-enoyl]oxypropyl (Z)-2-acetamido-3-phenylprop-2-enoate (PubChem CID 24671715) has the molecular formula C25H26N2O6 and a molecular weight of 450.49 g/mol. Its IUPAC name is 3-[(Z)-2-acetamido-3-phenylprop-2-enoyl]oxypropyl (Z)-2-acetamido-3-phenylprop-2-enoate.

Molecular Properties

Compound Name3-[(Z)-2-acetamido-3-phenylprop-2-enoyl]oxypropyl (Z)-2-acetamido-3-phenylprop-2-enoate
PubChem CID24671715
Molecular FormulaC25H26N2O6
Molecular Weight450.49 g/mol
Exact Mass450.18
IUPAC Name3-[(Z)-2-acetamido-3-phenylprop-2-enoyl]oxypropyl (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)OCCCOC(=O)/C(=C/c1ccccc1)NC(C)=O
InChIInChI=1S/C25H26N2O6/c1-18(28)26-22(16-20-10-5-3-6-11-20)24(30)32-14-9-15-33-25(31)23(27-19(2)29)17-21-12-7-4-8-13-21/h3-8,10-13,16-17H,9,14-15H2,1-2H3,(H,26,28)(H,27,29)/b22-16-,23-17-
InChIKeyFHQYDPYQSNNWGQ-IDUDEYGOSA-N
XLogP2.82
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl (2Z)-2-(acetylamino)-3-(4-fluorophenyl)acrylate
CID 5286664
(4-methylphenyl)methyl (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284714
(4-fluorophenyl)methyl (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284814
[(E)-3-phenylprop-2-enyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7555151
Isopropyl 2-(acetylamino)-3-(4-fluorophenyl)acrylate
CID 2282505
Ethyl 2-(acetylamino)-3-(4-fluorophenyl)acrylate
CID 2282510
2-Propenoic acid, 2-(acetylamino)-3-phenyl-, phenylmethyl ester, (2Z)-
CID 7284810
alpha-Acetylamino-4-fluorocinnamic acid methyl ester
CID 5730407
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 6519946
(Z)-Methyl 2-acetamido-3-phenylacrylate
CID 9964506
Cinnamic acid, 2-cinnamamidoethyl ester
CID 6434370
2-Propyn-1-yl 2-(acetylamino)-3-(4-fluorophenyl)acrylate
CID 5286662

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-acetamido-3-phenylprop-2-enoyl]oxypropyl (Z)-2-acetamido-3-phenylprop-2-enoate?
The IUPAC name of 3-[(Z)-2-acetamido-3-phenylprop-2-enoyl]oxypropyl (Z)-2-acetamido-3-phenylprop-2-enoate (CID 24671715) is 3-[(Z)-2-acetamido-3-phenylprop-2-enoyl]oxypropyl (Z)-2-acetamido-3-phenylprop-2-enoate.
What is the SMILES notation for 3-[(Z)-2-acetamido-3-phenylprop-2-enoyl]oxypropyl (Z)-2-acetamido-3-phenylprop-2-enoate?
The canonical SMILES for 3-[(Z)-2-acetamido-3-phenylprop-2-enoyl]oxypropyl (Z)-2-acetamido-3-phenylprop-2-enoate is CC(=O)N/C(=C\c1ccccc1)C(=O)OCCCOC(=O)/C(=C/c1ccccc1)NC(C)=O.
What is the InChIKey of 3-[(Z)-2-acetamido-3-phenylprop-2-enoyl]oxypropyl (Z)-2-acetamido-3-phenylprop-2-enoate?
The InChIKey is FHQYDPYQSNNWGQ-IDUDEYGOSA-N. The full InChI is InChI=1S/C25H26N2O6/c1-18(28)26-22(16-20-10-5-3-6-11-20)24(30)32-14-9-15-33-25(31)23(27-19(2)29)17-21-12-7-4-8-13-21/h3-8,10-13,16-17H,9,14-15H2,1-2H3,(H,26,28)(H,27,29)/b22-16-,23-17-.
What are the key properties of 3-[(Z)-2-acetamido-3-phenylprop-2-enoyl]oxypropyl (Z)-2-acetamido-3-phenylprop-2-enoate?
3-[(Z)-2-acetamido-3-phenylprop-2-enoyl]oxypropyl (Z)-2-acetamido-3-phenylprop-2-enoate has a molecular weight of 450.49 g/mol, XLogP of 2.82, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-acetamido-3-phenylprop-2-enoyl]oxypropyl (Z)-2-acetamido-3-phenylprop-2-enoate is sourced from PubChem (CID 24671715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).