2-[(1R,5S)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)acetamide

C24H39N3O2 — CID 130199320

IUPAC2-[(1R,5S)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)acetamide
SMILESCC(C)(C)NC(=O)CN1[C@@H]2CC[C@H]1CC(CC(=O)NC13CC4CC(CC1C4)C3)C2
InChIInChI=1S/C24H39N3O2/c1-23(2,3)25-22(29)14-27-19-4-5-20(27)10-15(9-19)11-21(28)26-24-12-16-6-17(13-24)8-18(24)7-16/h15-20H,4-14H2,1-3H3,(H,25,29)(H,26,28)/t15?,16?,17?,18?,19-,20+,24?
InChIKeyCHXRYTHDUNEQQR-QMUUTVGPSA-N
MW401.60 g/mol
LogP3.23
Rot. Bonds5

About 2-[(1R,5S)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)acetamide

2-[(1R,5S)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)acetamide (PubChem CID 130199320) has the molecular formula C24H39N3O2 and a molecular weight of 401.60 g/mol. Its IUPAC name is 2-[(1R,5S)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)acetamide.

Molecular Properties

Compound Name2-[(1R,5S)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)acetamide
PubChem CID130199320
Molecular FormulaC24H39N3O2
Molecular Weight401.60 g/mol
Exact Mass401.30
IUPAC Name2-[(1R,5S)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)acetamide
SMILESCC(C)(C)NC(=O)CN1[C@@H]2CC[C@H]1CC(CC(=O)NC13CC4CC(CC1C4)C3)C2
InChIInChI=1S/C24H39N3O2/c1-23(2,3)25-22(29)14-27-19-4-5-20(27)10-15(9-19)11-21(28)26-24-12-16-6-17(13-24)8-18(24)7-16/h15-20H,4-14H2,1-3H3,(H,25,29)(H,26,28)/t15?,16?,17?,18?,19-,20+,24?
InChIKeyCHXRYTHDUNEQQR-QMUUTVGPSA-N
XLogP3.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.60
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(1R,5S)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,5S)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)acetamide?
The IUPAC name of 2-[(1R,5S)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)acetamide (CID 130199320) is 2-[(1R,5S)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)acetamide.
What is the SMILES notation for 2-[(1R,5S)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)acetamide?
The canonical SMILES for 2-[(1R,5S)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)acetamide is CC(C)(C)NC(=O)CN1[C@@H]2CC[C@H]1CC(CC(=O)NC13CC4CC(CC1C4)C3)C2.
What is the InChIKey of 2-[(1R,5S)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)acetamide?
The InChIKey is CHXRYTHDUNEQQR-QMUUTVGPSA-N. The full InChI is InChI=1S/C24H39N3O2/c1-23(2,3)25-22(29)14-27-19-4-5-20(27)10-15(9-19)11-21(28)26-24-12-16-6-17(13-24)8-18(24)7-16/h15-20H,4-14H2,1-3H3,(H,25,29)(H,26,28)/t15?,16?,17?,18?,19-,20+,24?.
What are the key properties of 2-[(1R,5S)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)acetamide?
2-[(1R,5S)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)acetamide has a molecular weight of 401.60 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,5S)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)acetamide is sourced from PubChem (CID 130199320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).