3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid

C22H23NO4 — CID 650620

IUPAC3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1C(c2ccccc2)C(C(=O)N2CCOCC2)C1c1ccccc1
InChIInChI=1S/C22H23NO4/c24-21(23-11-13-27-14-12-23)19-17(15-7-3-1-4-8-15)20(22(25)26)18(19)16-9-5-2-6-10-16/h1-10,17-20H,11-14H2,(H,25,26)
InChIKeyFMUMEDHFYUKQRJ-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.74
Rot. Bonds4

About 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid

3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid (PubChem CID 650620) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid
PubChem CID650620
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1C(c2ccccc2)C(C(=O)N2CCOCC2)C1c1ccccc1
InChIInChI=1S/C22H23NO4/c24-21(23-11-13-27-14-12-23)19-17(15-7-3-1-4-8-15)20(22(25)26)18(19)16-9-5-2-6-10-16/h1-10,17-20H,11-14H2,(H,25,26)
InChIKeyFMUMEDHFYUKQRJ-UHFFFAOYSA-N
XLogP2.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid?
The IUPAC name of 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid (CID 650620) is 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid?
The canonical SMILES for 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid is O=C(O)C1C(c2ccccc2)C(C(=O)N2CCOCC2)C1c1ccccc1.
What is the InChIKey of 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid?
The InChIKey is FMUMEDHFYUKQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c24-21(23-11-13-27-14-12-23)19-17(15-7-3-1-4-8-15)20(22(25)26)18(19)16-9-5-2-6-10-16/h1-10,17-20H,11-14H2,(H,25,26).
What are the key properties of 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid?
3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid has a molecular weight of 365.43 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 650620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).