[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate

C17H19ClN2O4 — CID 2511796

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccccc1Cl)NC(=O)NC1CCCC1
InChIInChI=1S/C17H19ClN2O4/c18-14-8-4-1-5-12(14)9-10-16(22)24-11-15(21)20-17(23)19-13-6-2-3-7-13/h1,4-5,8-10,13H,2-3,6-7,11H2,(H2,19,20,21,23)/b10-9+
InChIKeyFLJMFAILTLRICE-MDZDMXLPSA-N
MW350.80 g/mol
LogP2.66
Rot. Bonds5

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate (PubChem CID 2511796) has the molecular formula C17H19ClN2O4 and a molecular weight of 350.80 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
PubChem CID2511796
Molecular FormulaC17H19ClN2O4
Molecular Weight350.80 g/mol
Exact Mass350.10
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccccc1Cl)NC(=O)NC1CCCC1
InChIInChI=1S/C17H19ClN2O4/c18-14-8-4-1-5-12(14)9-10-16(22)24-11-15(21)20-17(23)19-13-6-2-3-7-13/h1,4-5,8-10,13H,2-3,6-7,11H2,(H2,19,20,21,23)/b10-9+
InChIKeyFLJMFAILTLRICE-MDZDMXLPSA-N
XLogP2.66
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 52.66
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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Related Compounds

[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 2430332
[2-(cyclopentylamino)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 2512020
[2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-(3-chlorophenyl)prop-2-enoate
CID 2512193
[2-(cyclopentylamino)-2-oxoethyl] (E)-3-(3-chlorophenyl)prop-2-enoate
CID 2512538
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 6212004
[2-(cycloheptylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 6219682
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 2464589
[2-(cyclopentylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 2516451
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 5998766
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 16296512
[2-(cyclopropylamino)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 2511994
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 24982881

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate (CID 2511796) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate is O=C(COC(=O)/C=C/c1ccccc1Cl)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate?
The InChIKey is FLJMFAILTLRICE-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H19ClN2O4/c18-14-8-4-1-5-12(14)9-10-16(22)24-11-15(21)20-17(23)19-13-6-2-3-7-13/h1,4-5,8-10,13H,2-3,6-7,11H2,(H2,19,20,21,23)/b10-9+.
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate has a molecular weight of 350.80 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate is sourced from PubChem (CID 2511796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).