4-morpholin-4-ylbutan-2-yl 4-phenyloxane-4-carboxylate;hydrochloride

C20H30ClNO4 — CID 126961345

IUPAC4-morpholin-4-ylbutan-2-yl 4-phenyloxane-4-carboxylate;hydrochloride
SMILESCC(CCN1CCOCC1)OC(=O)C1(c2ccccc2)CCOCC1.Cl
InChIInChI=1S/C20H29NO4.ClH/c1-17(7-10-21-11-15-24-16-12-21)25-19(22)20(8-13-23-14-9-20)18-5-3-2-4-6-18;/h2-6,17H,7-16H2,1H3;1H
InChIKeyBDKUCLCOCUQRBK-UHFFFAOYSA-N
MW383.92 g/mol
LogP2.81
Rot. Bonds6

About 4-morpholin-4-ylbutan-2-yl 4-phenyloxane-4-carboxylate;hydrochloride

4-morpholin-4-ylbutan-2-yl 4-phenyloxane-4-carboxylate;hydrochloride (PubChem CID 126961345) has the molecular formula C20H30ClNO4 and a molecular weight of 383.92 g/mol. Its IUPAC name is 4-morpholin-4-ylbutan-2-yl 4-phenyloxane-4-carboxylate;hydrochloride.

Molecular Properties

Compound Name4-morpholin-4-ylbutan-2-yl 4-phenyloxane-4-carboxylate;hydrochloride
PubChem CID126961345
Molecular FormulaC20H30ClNO4
Molecular Weight383.92 g/mol
Exact Mass383.19
IUPAC Name4-morpholin-4-ylbutan-2-yl 4-phenyloxane-4-carboxylate;hydrochloride
SMILESCC(CCN1CCOCC1)OC(=O)C1(c2ccccc2)CCOCC1.Cl
InChIInChI=1S/C20H29NO4.ClH/c1-17(7-10-21-11-15-24-16-12-21)25-19(22)20(8-13-23-14-9-20)18-5-3-2-4-6-18;/h2-6,17H,7-16H2,1H3;1H
InChIKeyBDKUCLCOCUQRBK-UHFFFAOYSA-N
XLogP2.81
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylbutan-2-yl 4-phenyloxane-4-carboxylate;hydrochloride?
The IUPAC name of 4-morpholin-4-ylbutan-2-yl 4-phenyloxane-4-carboxylate;hydrochloride (CID 126961345) is 4-morpholin-4-ylbutan-2-yl 4-phenyloxane-4-carboxylate;hydrochloride.
What is the SMILES notation for 4-morpholin-4-ylbutan-2-yl 4-phenyloxane-4-carboxylate;hydrochloride?
The canonical SMILES for 4-morpholin-4-ylbutan-2-yl 4-phenyloxane-4-carboxylate;hydrochloride is CC(CCN1CCOCC1)OC(=O)C1(c2ccccc2)CCOCC1.Cl.
What is the InChIKey of 4-morpholin-4-ylbutan-2-yl 4-phenyloxane-4-carboxylate;hydrochloride?
The InChIKey is BDKUCLCOCUQRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4.ClH/c1-17(7-10-21-11-15-24-16-12-21)25-19(22)20(8-13-23-14-9-20)18-5-3-2-4-6-18;/h2-6,17H,7-16H2,1H3;1H.
What are the key properties of 4-morpholin-4-ylbutan-2-yl 4-phenyloxane-4-carboxylate;hydrochloride?
4-morpholin-4-ylbutan-2-yl 4-phenyloxane-4-carboxylate;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylbutan-2-yl 4-phenyloxane-4-carboxylate;hydrochloride is sourced from PubChem (CID 126961345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).