[2-oxo-2-(prop-2-enylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate

C20H26N2O4 — CID 4875512

IUPAC[2-oxo-2-(prop-2-enylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate
SMILESC=CCNC(=O)COC(=O)c1ccccc1C(=O)N(C)C1CCCCC1
InChIInChI=1S/C20H26N2O4/c1-3-13-21-18(23)14-26-20(25)17-12-8-7-11-16(17)19(24)22(2)15-9-5-4-6-10-15/h3,7-8,11-12,15H,1,4-6,9-10,13-14H2,2H3,(H,21,23)
InChIKeyALJUZTUGYPDPCI-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.55
Rot. Bonds7

About [2-oxo-2-(prop-2-enylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate

[2-oxo-2-(prop-2-enylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate (PubChem CID 4875512) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is [2-oxo-2-(prop-2-enylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate.

Molecular Properties

Compound Name[2-oxo-2-(prop-2-enylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate
PubChem CID4875512
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name[2-oxo-2-(prop-2-enylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate
SMILESC=CCNC(=O)COC(=O)c1ccccc1C(=O)N(C)C1CCCCC1
InChIInChI=1S/C20H26N2O4/c1-3-13-21-18(23)14-26-20(25)17-12-8-7-11-16(17)19(24)22(2)15-9-5-4-6-10-15/h3,7-8,11-12,15H,1,4-6,9-10,13-14H2,2H3,(H,21,23)
InChIKeyALJUZTUGYPDPCI-UHFFFAOYSA-N
XLogP2.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(prop-2-enylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate?
The IUPAC name of [2-oxo-2-(prop-2-enylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate (CID 4875512) is [2-oxo-2-(prop-2-enylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate.
What is the SMILES notation for [2-oxo-2-(prop-2-enylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate?
The canonical SMILES for [2-oxo-2-(prop-2-enylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate is C=CCNC(=O)COC(=O)c1ccccc1C(=O)N(C)C1CCCCC1.
What is the InChIKey of [2-oxo-2-(prop-2-enylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate?
The InChIKey is ALJUZTUGYPDPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-3-13-21-18(23)14-26-20(25)17-12-8-7-11-16(17)19(24)22(2)15-9-5-4-6-10-15/h3,7-8,11-12,15H,1,4-6,9-10,13-14H2,2H3,(H,21,23).
What are the key properties of [2-oxo-2-(prop-2-enylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate?
[2-oxo-2-(prop-2-enylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate has a molecular weight of 358.44 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(prop-2-enylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate is sourced from PubChem (CID 4875512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).