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

C21H34N2O3 — CID 58509933

IUPAC3-(cyclobutylmethyl)-5-[(5R,8S)-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-hydroxy-5-oxopentanamide
SMILESCC1(C)C2(CCC2)[C@]12CN[C@H](C(=O)CC(CC1CCC1)C(O)C(N)=O)C2
InChIInChI=1S/C21H34N2O3/c1-19(2)20(7-4-8-20)21(19)11-15(23-12-21)16(24)10-14(17(25)18(22)26)9-13-5-3-6-13/h13-15,17,23,25H,3-12H2,1-2H3,(H2,22,26)/t14?,15-,17?,21+/m0/s1
InChIKeyHTBXCDFZVLNUFO-SMHOYYENSA-N
MW362.51 g/mol
LogP2.16
Rot. Bonds7

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

3-(cyclobutylmethyl)-5-[(5R,8S)-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-hydroxy-5-oxopentanamide (PubChem CID 58509933) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-5-[(5R,8S)-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-hydroxy-5-oxopentanamide.

Molecular Properties

Compound Name3-(cyclobutylmethyl)-5-[(5R,8S)-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-hydroxy-5-oxopentanamide
PubChem CID58509933
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name3-(cyclobutylmethyl)-5-[(5R,8S)-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-hydroxy-5-oxopentanamide
SMILESCC1(C)C2(CCC2)[C@]12CN[C@H](C(=O)CC(CC1CCC1)C(O)C(N)=O)C2
InChIInChI=1S/C21H34N2O3/c1-19(2)20(7-4-8-20)21(19)11-15(23-12-21)16(24)10-14(17(25)18(22)26)9-13-5-3-6-13/h13-15,17,23,25H,3-12H2,1-2H3,(H2,22,26)/t14?,15-,17?,21+/m0/s1
InChIKeyHTBXCDFZVLNUFO-SMHOYYENSA-N
XLogP2.16
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(cyclobutylmethyl)-5-[(5R,8S)-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-hydroxy-5-oxopentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-4-[1-(2-amino-1-hydroxy-2-oxoethyl)cyclobutyl]-1-(1-methylcyclopentyl)-3-oxobutan-2-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 162204317
5-[(2S)-3-[(2S)-2-tert-butyl-6,6-dimethyl-4-oxoheptanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide
CID 58262967
3-(cyclobutylmethyl)-5-[(2S)-3-[(2S)-2-cyclohexylpropanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-hydroxy-5-oxopentanamide
CID 58263008
2-hydroxy-2-[(3S,13R,16S,17R,19S)-3,18,18-trimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]acetamide
CID 58311249
2-hydroxy-2-[(3S,14R,17S)-3,19,19-trimethyl-2,16-dioxo-1-azatricyclo[15.4.0.018,20]henicosan-14-yl]acetamide
CID 58311263
2-hydroxy-2-[(3S,14R,17S,18R,20S)-3,19,19-trimethyl-2,16-dioxo-1-azatricyclo[15.4.0.018,20]henicosan-14-yl]acetamide
CID 58311438
(2S,5S)-5-amino-2-tert-butyl-1-[(5R,8S)-8-[(3R)-6-cyclopropyl-4-hydroxy-5-oxo-3-propylhexanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-7-yl]-6,6-dimethylheptane-1,4-dione
CID 58509884
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
(2S,5S)-2-tert-butyl-1-[(5R,8S)-8-[(3R)-6-cyclopropyl-4-hydroxy-5-oxo-3-propylhexanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-7-yl]-6,6-dimethyl-5-(methylamino)heptane-1,4-dione
CID 58509909
(3R)-1-[(5R,8S)-7-[(2S)-2-amino-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-6-cyclopropyl-4-hydroxy-3-propylhexane-1,5-dione
CID 58509926
3-(cyclobutylmethyl)-5-[(5R,8S)-7-[(2S)-2-ethyl-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-hydroxy-5-oxopentanamide
CID 58509930
tert-butyl N-[(2S)-1-[(5R,8S)-8-[5-amino-3-(cyclobutylmethyl)-4-hydroxy-5-oxopentanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 58509949

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethyl)-5-[(5R,8S)-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-hydroxy-5-oxopentanamide?
The IUPAC name of 3-(cyclobutylmethyl)-5-[(5R,8S)-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-hydroxy-5-oxopentanamide (CID 58509933) is 3-(cyclobutylmethyl)-5-[(5R,8S)-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-hydroxy-5-oxopentanamide.
What is the SMILES notation for 3-(cyclobutylmethyl)-5-[(5R,8S)-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-hydroxy-5-oxopentanamide?
The canonical SMILES for 3-(cyclobutylmethyl)-5-[(5R,8S)-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-hydroxy-5-oxopentanamide is CC1(C)C2(CCC2)[C@]12CN[C@H](C(=O)CC(CC1CCC1)C(O)C(N)=O)C2.
What is the InChIKey of 3-(cyclobutylmethyl)-5-[(5R,8S)-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-hydroxy-5-oxopentanamide?
The InChIKey is HTBXCDFZVLNUFO-SMHOYYENSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-19(2)20(7-4-8-20)21(19)11-15(23-12-21)16(24)10-14(17(25)18(22)26)9-13-5-3-6-13/h13-15,17,23,25H,3-12H2,1-2H3,(H2,22,26)/t14?,15-,17?,21+/m0/s1.
What are the key properties of 3-(cyclobutylmethyl)-5-[(5R,8S)-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-hydroxy-5-oxopentanamide?
3-(cyclobutylmethyl)-5-[(5R,8S)-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-hydroxy-5-oxopentanamide has a molecular weight of 362.51 g/mol, XLogP of 2.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)-5-[(5R,8S)-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-hydroxy-5-oxopentanamide is sourced from PubChem (CID 58509933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).