(1-benzoyloxyspiro[7,8-dihydro-6H-naphthalene-5,2'-morpholine]-2-yl) benzoate

C27H25NO5 — CID 10864415

IUPAC(1-benzoyloxyspiro[7,8-dihydro-6H-naphthalene-5,2'-morpholine]-2-yl) benzoate
SMILESO=C(Oc1ccc2c(c1OC(=O)c1ccccc1)CCCC21CNCCO1)c1ccccc1
InChIInChI=1S/C27H25NO5/c29-25(19-8-3-1-4-9-19)32-23-14-13-22-21(12-7-15-27(22)18-28-16-17-31-27)24(23)33-26(30)20-10-5-2-6-11-20/h1-6,8-11,13-14,28H,7,12,15-18H2
InChIKeyRWMMKIWUXKAYLV-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.28
Rot. Bonds4

About (1-benzoyloxyspiro[7,8-dihydro-6H-naphthalene-5,2'-morpholine]-2-yl) benzoate

(1-benzoyloxyspiro[7,8-dihydro-6H-naphthalene-5,2'-morpholine]-2-yl) benzoate (PubChem CID 10864415) has the molecular formula C27H25NO5 and a molecular weight of 443.50 g/mol. Its IUPAC name is (1-benzoyloxyspiro[7,8-dihydro-6H-naphthalene-5,2'-morpholine]-2-yl) benzoate.

Molecular Properties

Compound Name(1-benzoyloxyspiro[7,8-dihydro-6H-naphthalene-5,2'-morpholine]-2-yl) benzoate
PubChem CID10864415
Molecular FormulaC27H25NO5
Molecular Weight443.50 g/mol
Exact Mass443.17
IUPAC Name(1-benzoyloxyspiro[7,8-dihydro-6H-naphthalene-5,2'-morpholine]-2-yl) benzoate
SMILESO=C(Oc1ccc2c(c1OC(=O)c1ccccc1)CCCC21CNCCO1)c1ccccc1
InChIInChI=1S/C27H25NO5/c29-25(19-8-3-1-4-9-19)32-23-14-13-22-21(12-7-15-27(22)18-28-16-17-31-27)24(23)33-26(30)20-10-5-2-6-11-20/h1-6,8-11,13-14,28H,7,12,15-18H2
InChIKeyRWMMKIWUXKAYLV-UHFFFAOYSA-N
XLogP4.28
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-benzoyloxyspiro[7,8-dihydro-6H-naphthalene-5,2'-morpholine]-2-yl) benzoate?
The IUPAC name of (1-benzoyloxyspiro[7,8-dihydro-6H-naphthalene-5,2'-morpholine]-2-yl) benzoate (CID 10864415) is (1-benzoyloxyspiro[7,8-dihydro-6H-naphthalene-5,2'-morpholine]-2-yl) benzoate.
What is the SMILES notation for (1-benzoyloxyspiro[7,8-dihydro-6H-naphthalene-5,2'-morpholine]-2-yl) benzoate?
The canonical SMILES for (1-benzoyloxyspiro[7,8-dihydro-6H-naphthalene-5,2'-morpholine]-2-yl) benzoate is O=C(Oc1ccc2c(c1OC(=O)c1ccccc1)CCCC21CNCCO1)c1ccccc1.
What is the InChIKey of (1-benzoyloxyspiro[7,8-dihydro-6H-naphthalene-5,2'-morpholine]-2-yl) benzoate?
The InChIKey is RWMMKIWUXKAYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO5/c29-25(19-8-3-1-4-9-19)32-23-14-13-22-21(12-7-15-27(22)18-28-16-17-31-27)24(23)33-26(30)20-10-5-2-6-11-20/h1-6,8-11,13-14,28H,7,12,15-18H2.
What are the key properties of (1-benzoyloxyspiro[7,8-dihydro-6H-naphthalene-5,2'-morpholine]-2-yl) benzoate?
(1-benzoyloxyspiro[7,8-dihydro-6H-naphthalene-5,2'-morpholine]-2-yl) benzoate has a molecular weight of 443.50 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoyloxyspiro[7,8-dihydro-6H-naphthalene-5,2'-morpholine]-2-yl) benzoate is sourced from PubChem (CID 10864415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).