(7S)-N-hydroxy-N-(2-morpholin-4-yl-2-oxoethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide

C20H25N3O5 — CID 122622972

IUPAC(7S)-N-hydroxy-N-(2-morpholin-4-yl-2-oxoethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
SMILESO=C(c1ccc2c(c1)C[C@]1(CCNC1=O)CC2)N(O)CC(=O)N1CCOCC1
InChIInChI=1S/C20H25N3O5/c24-17(22-7-9-28-10-8-22)13-23(27)18(25)15-2-1-14-3-4-20(12-16(14)11-15)5-6-21-19(20)26/h1-2,11,27H,3-10,12-13H2,(H,21,26)/t20-/m1/s1
InChIKeyVYOAZJHYIJCFPS-HXUWFJFHSA-N
MW387.44 g/mol
LogP0.37
Rot. Bonds3

About (7S)-N-hydroxy-N-(2-morpholin-4-yl-2-oxoethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide

(7S)-N-hydroxy-N-(2-morpholin-4-yl-2-oxoethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide (PubChem CID 122622972) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is (7S)-N-hydroxy-N-(2-morpholin-4-yl-2-oxoethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide.

Molecular Properties

Compound Name(7S)-N-hydroxy-N-(2-morpholin-4-yl-2-oxoethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
PubChem CID122622972
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name(7S)-N-hydroxy-N-(2-morpholin-4-yl-2-oxoethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
SMILESO=C(c1ccc2c(c1)C[C@]1(CCNC1=O)CC2)N(O)CC(=O)N1CCOCC1
InChIInChI=1S/C20H25N3O5/c24-17(22-7-9-28-10-8-22)13-23(27)18(25)15-2-1-14-3-4-20(12-16(14)11-15)5-6-21-19(20)26/h1-2,11,27H,3-10,12-13H2,(H,21,26)/t20-/m1/s1
InChIKeyVYOAZJHYIJCFPS-HXUWFJFHSA-N
XLogP0.37
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7S)-N-hydroxy-N-(2-morpholin-4-yl-2-oxoethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide?
The IUPAC name of (7S)-N-hydroxy-N-(2-morpholin-4-yl-2-oxoethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide (CID 122622972) is (7S)-N-hydroxy-N-(2-morpholin-4-yl-2-oxoethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide.
What is the SMILES notation for (7S)-N-hydroxy-N-(2-morpholin-4-yl-2-oxoethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide?
The canonical SMILES for (7S)-N-hydroxy-N-(2-morpholin-4-yl-2-oxoethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide is O=C(c1ccc2c(c1)C[C@]1(CCNC1=O)CC2)N(O)CC(=O)N1CCOCC1.
What is the InChIKey of (7S)-N-hydroxy-N-(2-morpholin-4-yl-2-oxoethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide?
The InChIKey is VYOAZJHYIJCFPS-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H25N3O5/c24-17(22-7-9-28-10-8-22)13-23(27)18(25)15-2-1-14-3-4-20(12-16(14)11-15)5-6-21-19(20)26/h1-2,11,27H,3-10,12-13H2,(H,21,26)/t20-/m1/s1.
What are the key properties of (7S)-N-hydroxy-N-(2-morpholin-4-yl-2-oxoethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide?
(7S)-N-hydroxy-N-(2-morpholin-4-yl-2-oxoethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-hydroxy-N-(2-morpholin-4-yl-2-oxoethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide is sourced from PubChem (CID 122622972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).