(2,3-dimethyl-1H-indol-5-yl)-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

C23H32N2O3 — CID 154567367

IUPAC(2,3-dimethyl-1H-indol-5-yl)-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESCc1[nH]c2ccc(C(=O)N3CCC4(CC3)C[C@H](O)C[C@H](C(C)C)O4)cc2c1C
InChIInChI=1S/C23H32N2O3/c1-14(2)21-12-18(26)13-23(28-21)7-9-25(10-8-23)22(27)17-5-6-20-19(11-17)15(3)16(4)24-20/h5-6,11,14,18,21,24,26H,7-10,12-13H2,1-4H3/t18-,21-/m1/s1
InChIKeyIGWKHBRBNVAHOY-WIYYLYMNSA-N
MW384.52 g/mol
LogP3.96
Rot. Bonds2

About (2,3-dimethyl-1H-indol-5-yl)-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

(2,3-dimethyl-1H-indol-5-yl)-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (PubChem CID 154567367) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is (2,3-dimethyl-1H-indol-5-yl)-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethyl-1H-indol-5-yl)-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
PubChem CID154567367
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name(2,3-dimethyl-1H-indol-5-yl)-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESCc1[nH]c2ccc(C(=O)N3CCC4(CC3)C[C@H](O)C[C@H](C(C)C)O4)cc2c1C
InChIInChI=1S/C23H32N2O3/c1-14(2)21-12-18(26)13-23(28-21)7-9-25(10-8-23)22(27)17-5-6-20-19(11-17)15(3)16(4)24-20/h5-6,11,14,18,21,24,26H,7-10,12-13H2,1-4H3/t18-,21-/m1/s1
InChIKeyIGWKHBRBNVAHOY-WIYYLYMNSA-N
XLogP3.96
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (CID 154567367) is (2,3-dimethyl-1H-indol-5-yl)-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for (2,3-dimethyl-1H-indol-5-yl)-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for (2,3-dimethyl-1H-indol-5-yl)-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is Cc1[nH]c2ccc(C(=O)N3CCC4(CC3)C[C@H](O)C[C@H](C(C)C)O4)cc2c1C.
What is the InChIKey of (2,3-dimethyl-1H-indol-5-yl)-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is IGWKHBRBNVAHOY-WIYYLYMNSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-14(2)21-12-18(26)13-23(28-21)7-9-25(10-8-23)22(27)17-5-6-20-19(11-17)15(3)16(4)24-20/h5-6,11,14,18,21,24,26H,7-10,12-13H2,1-4H3/t18-,21-/m1/s1.
What are the key properties of (2,3-dimethyl-1H-indol-5-yl)-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
(2,3-dimethyl-1H-indol-5-yl)-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 384.52 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-1H-indol-5-yl)-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 154567367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).