(3-hydroxy-3-methylcyclobutyl)-[7-(2-methyl-3-propan-2-yloxyphenyl)-2-azaspiro[3.5]nonan-2-yl]methanone

C24H35NO3 — CID 164710003

IUPAC(3-hydroxy-3-methylcyclobutyl)-[7-(2-methyl-3-propan-2-yloxyphenyl)-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESCc1c(OC(C)C)cccc1C1CCC2(CC1)CN(C(=O)C1CC(C)(O)C1)C2
InChIInChI=1S/C24H35NO3/c1-16(2)28-21-7-5-6-20(17(21)3)18-8-10-24(11-9-18)14-25(15-24)22(26)19-12-23(4,27)13-19/h5-7,16,18-19,27H,8-15H2,1-4H3
InChIKeyDDQUNNMEWXWAEW-UHFFFAOYSA-N
MW385.55 g/mol
LogP4.43
Rot. Bonds4

About (3-hydroxy-3-methylcyclobutyl)-[7-(2-methyl-3-propan-2-yloxyphenyl)-2-azaspiro[3.5]nonan-2-yl]methanone

(3-hydroxy-3-methylcyclobutyl)-[7-(2-methyl-3-propan-2-yloxyphenyl)-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 164710003) has the molecular formula C24H35NO3 and a molecular weight of 385.55 g/mol. Its IUPAC name is (3-hydroxy-3-methylcyclobutyl)-[7-(2-methyl-3-propan-2-yloxyphenyl)-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylcyclobutyl)-[7-(2-methyl-3-propan-2-yloxyphenyl)-2-azaspiro[3.5]nonan-2-yl]methanone
PubChem CID164710003
Molecular FormulaC24H35NO3
Molecular Weight385.55 g/mol
Exact Mass385.26
IUPAC Name(3-hydroxy-3-methylcyclobutyl)-[7-(2-methyl-3-propan-2-yloxyphenyl)-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESCc1c(OC(C)C)cccc1C1CCC2(CC1)CN(C(=O)C1CC(C)(O)C1)C2
InChIInChI=1S/C24H35NO3/c1-16(2)28-21-7-5-6-20(17(21)3)18-8-10-24(11-9-18)14-25(15-24)22(26)19-12-23(4,27)13-19/h5-7,16,18-19,27H,8-15H2,1-4H3
InChIKeyDDQUNNMEWXWAEW-UHFFFAOYSA-N
XLogP4.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[7-(2-methyl-3-propan-2-yloxyphenyl)-2-azaspiro[3.5]nonan-2-yl]methanone?
The IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[7-(2-methyl-3-propan-2-yloxyphenyl)-2-azaspiro[3.5]nonan-2-yl]methanone (CID 164710003) is (3-hydroxy-3-methylcyclobutyl)-[7-(2-methyl-3-propan-2-yloxyphenyl)-2-azaspiro[3.5]nonan-2-yl]methanone.
What is the SMILES notation for (3-hydroxy-3-methylcyclobutyl)-[7-(2-methyl-3-propan-2-yloxyphenyl)-2-azaspiro[3.5]nonan-2-yl]methanone?
The canonical SMILES for (3-hydroxy-3-methylcyclobutyl)-[7-(2-methyl-3-propan-2-yloxyphenyl)-2-azaspiro[3.5]nonan-2-yl]methanone is Cc1c(OC(C)C)cccc1C1CCC2(CC1)CN(C(=O)C1CC(C)(O)C1)C2.
What is the InChIKey of (3-hydroxy-3-methylcyclobutyl)-[7-(2-methyl-3-propan-2-yloxyphenyl)-2-azaspiro[3.5]nonan-2-yl]methanone?
The InChIKey is DDQUNNMEWXWAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO3/c1-16(2)28-21-7-5-6-20(17(21)3)18-8-10-24(11-9-18)14-25(15-24)22(26)19-12-23(4,27)13-19/h5-7,16,18-19,27H,8-15H2,1-4H3.
What are the key properties of (3-hydroxy-3-methylcyclobutyl)-[7-(2-methyl-3-propan-2-yloxyphenyl)-2-azaspiro[3.5]nonan-2-yl]methanone?
(3-hydroxy-3-methylcyclobutyl)-[7-(2-methyl-3-propan-2-yloxyphenyl)-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 385.55 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylcyclobutyl)-[7-(2-methyl-3-propan-2-yloxyphenyl)-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 164710003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).