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

C29H48N2O4 — CID 58509930

IUPAC3-(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
SMILESCC[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)CC(CC1CCC1)C(O)C(N)=O)C(C)(C)C21CCC1)C(C)(C)C
InChIInChI=1S/C29H48N2O4/c1-7-20(26(2,3)4)25(35)31-17-29(27(5,6)28(29)12-9-13-28)16-21(31)22(32)15-19(23(33)24(30)34)14-18-10-8-11-18/h18-21,23,33H,7-17H2,1-6H3,(H2,30,34)/t19?,20-,21+,23?,29-/m1/s1
InChIKeyAWARCLUZSDTNEV-DXTFUFITSA-N
MW488.71 g/mol
LogP4.47
Rot. Bonds9

About 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

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 (PubChem CID 58509930) has the molecular formula C29H48N2O4 and a molecular weight of 488.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID58509930
Molecular FormulaC29H48N2O4
Molecular Weight488.71 g/mol
Exact Mass488.36
IUPAC Name3-(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
SMILESCC[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)CC(CC1CCC1)C(O)C(N)=O)C(C)(C)C21CCC1)C(C)(C)C
InChIInChI=1S/C29H48N2O4/c1-7-20(26(2,3)4)25(35)31-17-29(27(5,6)28(29)12-9-13-28)16-21(31)22(32)15-19(23(33)24(30)34)14-18-10-8-11-18/h18-21,23,33H,7-17H2,1-6H3,(H2,30,34)/t19?,20-,21+,23?,29-/m1/s1
InChIKeyAWARCLUZSDTNEV-DXTFUFITSA-N
XLogP4.47
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.71
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)CC(CC1CCC1)C(O)C(N)=O)C(C)(C)C21CCC1)C(C)(C)C.
What is the InChIKey of 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?
The InChIKey is AWARCLUZSDTNEV-DXTFUFITSA-N. The full InChI is InChI=1S/C29H48N2O4/c1-7-20(26(2,3)4)25(35)31-17-29(27(5,6)28(29)12-9-13-28)16-21(31)22(32)15-19(23(33)24(30)34)14-18-10-8-11-18/h18-21,23,33H,7-17H2,1-6H3,(H2,30,34)/t19?,20-,21+,23?,29-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 488.71 g/mol, XLogP of 4.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58509930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).