(2'R,3S)-1-benzoyl-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide

C25H29N3O4 — CID 97440045

IUPAC(2'R,3S)-1-benzoyl-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
SMILESO=C(NCCN1CCOCC1)[C@H]1C[C@@]2(CO1)CN(C(=O)c1ccccc1)c1ccccc12
InChIInChI=1S/C25H29N3O4/c29-23(26-10-11-27-12-14-31-15-13-27)22-16-25(18-32-22)17-28(21-9-5-4-8-20(21)25)24(30)19-6-2-1-3-7-19/h1-9,22H,10-18H2,(H,26,29)/t22-,25+/m1/s1
InChIKeySJUCXFVEAOAIRX-RDGATRHJSA-N
MW435.52 g/mol
LogP1.82
Rot. Bonds5

About (2'R,3S)-1-benzoyl-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide

(2'R,3S)-1-benzoyl-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide (PubChem CID 97440045) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is (2'R,3S)-1-benzoyl-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide.

Molecular Properties

Compound Name(2'R,3S)-1-benzoyl-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
PubChem CID97440045
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name(2'R,3S)-1-benzoyl-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
SMILESO=C(NCCN1CCOCC1)[C@H]1C[C@@]2(CO1)CN(C(=O)c1ccccc1)c1ccccc12
InChIInChI=1S/C25H29N3O4/c29-23(26-10-11-27-12-14-31-15-13-27)22-16-25(18-32-22)17-28(21-9-5-4-8-20(21)25)24(30)19-6-2-1-3-7-19/h1-9,22H,10-18H2,(H,26,29)/t22-,25+/m1/s1
InChIKeySJUCXFVEAOAIRX-RDGATRHJSA-N
XLogP1.82
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 131643036
1-(1-benzoylspiro[2H-indole-3,4'-oxolane]-2'-yl)-3-morpholin-4-ylpropan-1-one
CID 134690534
(2'S,3R)-N-[2-(dimethylamino)ethyl]-1-methylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 98781644
4-benzoyl-N-(2-morpholin-4-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 46110761
(4S)-3-benzoyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 809655
N-(2-methoxyethyl)-1-(3-methylbutyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 131645127
N-(2-morpholin-4-ylethyl)-2-oxo-2-phenylacetamide
CID 94274550
phenyl(spiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone
CID 166223400
N-(2-morpholin-4-ylethylcarbamoyl)benzamide
CID 2987060
1-benzoyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-6-carboxamide
CID 50847714
1-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 110408174
(2R,5R)-1-benzoyl-5-benzyl-2-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide
CID 5459731

Frequently Asked Questions

What is the IUPAC name of (2'R,3S)-1-benzoyl-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
The IUPAC name of (2'R,3S)-1-benzoyl-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide (CID 97440045) is (2'R,3S)-1-benzoyl-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide.
What is the SMILES notation for (2'R,3S)-1-benzoyl-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
The canonical SMILES for (2'R,3S)-1-benzoyl-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide is O=C(NCCN1CCOCC1)[C@H]1C[C@@]2(CO1)CN(C(=O)c1ccccc1)c1ccccc12.
What is the InChIKey of (2'R,3S)-1-benzoyl-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
The InChIKey is SJUCXFVEAOAIRX-RDGATRHJSA-N. The full InChI is InChI=1S/C25H29N3O4/c29-23(26-10-11-27-12-14-31-15-13-27)22-16-25(18-32-22)17-28(21-9-5-4-8-20(21)25)24(30)19-6-2-1-3-7-19/h1-9,22H,10-18H2,(H,26,29)/t22-,25+/m1/s1.
What are the key properties of (2'R,3S)-1-benzoyl-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
(2'R,3S)-1-benzoyl-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide has a molecular weight of 435.52 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3S)-1-benzoyl-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide is sourced from PubChem (CID 97440045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).