3-(cyclobutylmethyl)-2-hydroxy-5-oxo-5-[(5R,8S)-7,10,10-trimethyl-7-azadispiro[3.0.45.14]decan-8-yl]pentanamide

C22H36N2O3 — CID 58509885

IUPAC3-(cyclobutylmethyl)-2-hydroxy-5-oxo-5-[(5R,8S)-7,10,10-trimethyl-7-azadispiro[3.0.45.14]decan-8-yl]pentanamide
SMILESCN1C[C@]2(C[C@H]1C(=O)CC(CC1CCC1)C(O)C(N)=O)C(C)(C)C21CCC1
InChIInChI=1S/C22H36N2O3/c1-20(2)21(8-5-9-21)22(20)12-16(24(3)13-22)17(25)11-15(18(26)19(23)27)10-14-6-4-7-14/h14-16,18,26H,4-13H2,1-3H3,(H2,23,27)/t15?,16-,18?,22+/m0/s1
InChIKeyQLMJTORXOMRFTR-QWWLDOJNSA-N
MW376.54 g/mol
LogP2.50
Rot. Bonds7

About 3-(cyclobutylmethyl)-2-hydroxy-5-oxo-5-[(5R,8S)-7,10,10-trimethyl-7-azadispiro[3.0.45.14]decan-8-yl]pentanamide

3-(cyclobutylmethyl)-2-hydroxy-5-oxo-5-[(5R,8S)-7,10,10-trimethyl-7-azadispiro[3.0.45.14]decan-8-yl]pentanamide (PubChem CID 58509885) has the molecular formula C22H36N2O3 and a molecular weight of 376.54 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-2-hydroxy-5-oxo-5-[(5R,8S)-7,10,10-trimethyl-7-azadispiro[3.0.45.14]decan-8-yl]pentanamide.

Molecular Properties

Compound Name3-(cyclobutylmethyl)-2-hydroxy-5-oxo-5-[(5R,8S)-7,10,10-trimethyl-7-azadispiro[3.0.45.14]decan-8-yl]pentanamide
PubChem CID58509885
Molecular FormulaC22H36N2O3
Molecular Weight376.54 g/mol
Exact Mass376.27
IUPAC Name3-(cyclobutylmethyl)-2-hydroxy-5-oxo-5-[(5R,8S)-7,10,10-trimethyl-7-azadispiro[3.0.45.14]decan-8-yl]pentanamide
SMILESCN1C[C@]2(C[C@H]1C(=O)CC(CC1CCC1)C(O)C(N)=O)C(C)(C)C21CCC1
InChIInChI=1S/C22H36N2O3/c1-20(2)21(8-5-9-21)22(20)12-16(24(3)13-22)17(25)11-15(18(26)19(23)27)10-14-6-4-7-14/h14-16,18,26H,4-13H2,1-3H3,(H2,23,27)/t15?,16-,18?,22+/m0/s1
InChIKeyQLMJTORXOMRFTR-QWWLDOJNSA-N
XLogP2.50
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethyl)-2-hydroxy-5-oxo-5-[(5R,8S)-7,10,10-trimethyl-7-azadispiro[3.0.45.14]decan-8-yl]pentanamide?
The IUPAC name of 3-(cyclobutylmethyl)-2-hydroxy-5-oxo-5-[(5R,8S)-7,10,10-trimethyl-7-azadispiro[3.0.45.14]decan-8-yl]pentanamide (CID 58509885) is 3-(cyclobutylmethyl)-2-hydroxy-5-oxo-5-[(5R,8S)-7,10,10-trimethyl-7-azadispiro[3.0.45.14]decan-8-yl]pentanamide.
What is the SMILES notation for 3-(cyclobutylmethyl)-2-hydroxy-5-oxo-5-[(5R,8S)-7,10,10-trimethyl-7-azadispiro[3.0.45.14]decan-8-yl]pentanamide?
The canonical SMILES for 3-(cyclobutylmethyl)-2-hydroxy-5-oxo-5-[(5R,8S)-7,10,10-trimethyl-7-azadispiro[3.0.45.14]decan-8-yl]pentanamide is CN1C[C@]2(C[C@H]1C(=O)CC(CC1CCC1)C(O)C(N)=O)C(C)(C)C21CCC1.
What is the InChIKey of 3-(cyclobutylmethyl)-2-hydroxy-5-oxo-5-[(5R,8S)-7,10,10-trimethyl-7-azadispiro[3.0.45.14]decan-8-yl]pentanamide?
The InChIKey is QLMJTORXOMRFTR-QWWLDOJNSA-N. The full InChI is InChI=1S/C22H36N2O3/c1-20(2)21(8-5-9-21)22(20)12-16(24(3)13-22)17(25)11-15(18(26)19(23)27)10-14-6-4-7-14/h14-16,18,26H,4-13H2,1-3H3,(H2,23,27)/t15?,16-,18?,22+/m0/s1.
What are the key properties of 3-(cyclobutylmethyl)-2-hydroxy-5-oxo-5-[(5R,8S)-7,10,10-trimethyl-7-azadispiro[3.0.45.14]decan-8-yl]pentanamide?
3-(cyclobutylmethyl)-2-hydroxy-5-oxo-5-[(5R,8S)-7,10,10-trimethyl-7-azadispiro[3.0.45.14]decan-8-yl]pentanamide has a molecular weight of 376.54 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)-2-hydroxy-5-oxo-5-[(5R,8S)-7,10,10-trimethyl-7-azadispiro[3.0.45.14]decan-8-yl]pentanamide is sourced from PubChem (CID 58509885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).