methyl 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylate

C23H25NO4 — CID 646595

IUPACmethyl 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylate
SMILESCOC(=O)C1C(c2ccccc2)C(C(=O)N2CCOCC2)C1c1ccccc1
InChIInChI=1S/C23H25NO4/c1-27-23(26)21-18(16-8-4-2-5-9-16)20(19(21)17-10-6-3-7-11-17)22(25)24-12-14-28-15-13-24/h2-11,18-21H,12-15H2,1H3
InChIKeyHFJKDTBIAOUSBU-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.83
Rot. Bonds4

About methyl 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylate

methyl 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylate (PubChem CID 646595) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is methyl 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylate
PubChem CID646595
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Namemethyl 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylate
SMILESCOC(=O)C1C(c2ccccc2)C(C(=O)N2CCOCC2)C1c1ccccc1
InChIInChI=1S/C23H25NO4/c1-27-23(26)21-18(16-8-4-2-5-9-16)20(19(21)17-10-6-3-7-11-17)22(25)24-12-14-28-15-13-24/h2-11,18-21H,12-15H2,1H3
InChIKeyHFJKDTBIAOUSBU-UHFFFAOYSA-N
XLogP2.83
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylate?
The IUPAC name of methyl 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylate (CID 646595) is methyl 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylate is COC(=O)C1C(c2ccccc2)C(C(=O)N2CCOCC2)C1c1ccccc1.
What is the InChIKey of methyl 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylate?
The InChIKey is HFJKDTBIAOUSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-27-23(26)21-18(16-8-4-2-5-9-16)20(19(21)17-10-6-3-7-11-17)22(25)24-12-14-28-15-13-24/h2-11,18-21H,12-15H2,1H3.
What are the key properties of methyl 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylate?
methyl 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylate has a molecular weight of 379.46 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylate is sourced from PubChem (CID 646595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).