[2-(cyclopentylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate

C18H22N2O4 — CID 7284848

IUPAC[2-(cyclopentylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)NC1CCCC1
InChIInChI=1S/C18H22N2O4/c1-13(21)19-16(11-14-7-3-2-4-8-14)18(23)24-12-17(22)20-15-9-5-6-10-15/h2-4,7-8,11,15H,5-6,9-10,12H2,1H3,(H,19,21)(H,20,22)/b16-11-
InChIKeyGWZVXUBTTXOKFS-WJDWOHSUSA-N
MW330.38 g/mol
LogP1.77
Rot. Bonds6

About [2-(cyclopentylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate

[2-(cyclopentylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate (PubChem CID 7284848) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
PubChem CID7284848
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)NC1CCCC1
InChIInChI=1S/C18H22N2O4/c1-13(21)19-16(11-14-7-3-2-4-8-14)18(23)24-12-17(22)20-15-9-5-6-10-15/h2-4,7-8,11,15H,5-6,9-10,12H2,1H3,(H,19,21)(H,20,22)/b16-11-
InChIKeyGWZVXUBTTXOKFS-WJDWOHSUSA-N
XLogP1.77
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate (CID 7284848) is [2-(cyclopentylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate is CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
The InChIKey is GWZVXUBTTXOKFS-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-13(21)19-16(11-14-7-3-2-4-8-14)18(23)24-12-17(22)20-15-9-5-6-10-15/h2-4,7-8,11,15H,5-6,9-10,12H2,1H3,(H,19,21)(H,20,22)/b16-11-.
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
[2-(cyclopentylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate has a molecular weight of 330.38 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate is sourced from PubChem (CID 7284848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).