[2-(4-carbamoylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

C18H22N2O4 — CID 4992068

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)CC2CC3CCC2C3)cc1
InChIInChI=1S/C18H22N2O4/c19-18(23)12-3-5-15(6-4-12)20-16(21)10-24-17(22)9-14-8-11-1-2-13(14)7-11/h3-6,11,13-14H,1-2,7-10H2,(H2,19,23)(H,20,21)
InChIKeyQHPVJHHVUSCBEH-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.09
Rot. Bonds6

About [2-(4-carbamoylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

[2-(4-carbamoylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (PubChem CID 4992068) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
PubChem CID4992068
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)CC2CC3CCC2C3)cc1
InChIInChI=1S/C18H22N2O4/c19-18(23)12-3-5-15(6-4-12)20-16(21)10-24-17(22)9-14-8-11-1-2-13(14)7-11/h3-6,11,13-14H,1-2,7-10H2,(H2,19,23)(H,20,21)
InChIKeyQHPVJHHVUSCBEH-UHFFFAOYSA-N
XLogP2.09
TPSA98.49 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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (CID 4992068) is [2-(4-carbamoylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is NC(=O)c1ccc(NC(=O)COC(=O)CC2CC3CCC2C3)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The InChIKey is QHPVJHHVUSCBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c19-18(23)12-3-5-15(6-4-12)20-16(21)10-24-17(22)9-14-8-11-1-2-13(14)7-11/h3-6,11,13-14H,1-2,7-10H2,(H2,19,23)(H,20,21).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate has a molecular weight of 330.38 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is sourced from PubChem (CID 4992068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).