N-tert-butyl-2-[(1R,5S)-3-(5,5-dimethyl-2-oxohexyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide

C21H38N2O2 — CID 159359834

IUPACN-tert-butyl-2-[(1R,5S)-3-(5,5-dimethyl-2-oxohexyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide
SMILESCC(C)(C)CCC(=O)CC1C[C@H]2CC[C@@H](C1)N2CC(=O)NC(C)(C)C
InChIInChI=1S/C21H38N2O2/c1-20(2,3)10-9-18(24)13-15-11-16-7-8-17(12-15)23(16)14-19(25)22-21(4,5)6/h15-17H,7-14H2,1-6H3,(H,22,25)/t15?,16-,17+
InChIKeyLIJWTLFUPDNGCM-ALOPSCKCSA-N
MW350.55 g/mol
LogP3.93
Rot. Bonds6

About N-tert-butyl-2-[(1R,5S)-3-(5,5-dimethyl-2-oxohexyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide

N-tert-butyl-2-[(1R,5S)-3-(5,5-dimethyl-2-oxohexyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide (PubChem CID 159359834) has the molecular formula C21H38N2O2 and a molecular weight of 350.55 g/mol. Its IUPAC name is N-tert-butyl-2-[(1R,5S)-3-(5,5-dimethyl-2-oxohexyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(1R,5S)-3-(5,5-dimethyl-2-oxohexyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide
PubChem CID159359834
Molecular FormulaC21H38N2O2
Molecular Weight350.55 g/mol
Exact Mass350.29
IUPAC NameN-tert-butyl-2-[(1R,5S)-3-(5,5-dimethyl-2-oxohexyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide
SMILESCC(C)(C)CCC(=O)CC1C[C@H]2CC[C@@H](C1)N2CC(=O)NC(C)(C)C
InChIInChI=1S/C21H38N2O2/c1-20(2,3)10-9-18(24)13-15-11-16-7-8-17(12-15)23(16)14-19(25)22-21(4,5)6/h15-17H,7-14H2,1-6H3,(H,22,25)/t15?,16-,17+
InChIKeyLIJWTLFUPDNGCM-ALOPSCKCSA-N
XLogP3.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid
CID 126736650
N-tert-butyl-2-[(1R,5S)-3-[3-(3-chlorophenyl)-2-oxopropyl]-8-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 161164460
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(tert-butylcarbamoyl)acetamide
CID 61236323
5,5-dimethyl-1-(3-methylcyclopentyl)hexan-2-one
CID 167537268
2-[8-[2-(2-acetylhydrazinyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79605925
N-[[8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 126736579
2-[8-(tert-butylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608579
2-[6-[2-(tert-butylamino)-2-oxoethyl]-6-azabicyclo[3.1.1]heptan-3-yl]-N-(3-chloro-5-fluorophenyl)acetamide
CID 169216011
N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1H-indole-3-carboxamide
CID 130191199
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylacetamide
CID 61235196
2-[8-[2-oxo-2-(prop-2-ynylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606579
N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide
CID 126736792

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(1R,5S)-3-(5,5-dimethyl-2-oxohexyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[(1R,5S)-3-(5,5-dimethyl-2-oxohexyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide (CID 159359834) is N-tert-butyl-2-[(1R,5S)-3-(5,5-dimethyl-2-oxohexyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(1R,5S)-3-(5,5-dimethyl-2-oxohexyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[(1R,5S)-3-(5,5-dimethyl-2-oxohexyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide is CC(C)(C)CCC(=O)CC1C[C@H]2CC[C@@H](C1)N2CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(1R,5S)-3-(5,5-dimethyl-2-oxohexyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The InChIKey is LIJWTLFUPDNGCM-ALOPSCKCSA-N. The full InChI is InChI=1S/C21H38N2O2/c1-20(2,3)10-9-18(24)13-15-11-16-7-8-17(12-15)23(16)14-19(25)22-21(4,5)6/h15-17H,7-14H2,1-6H3,(H,22,25)/t15?,16-,17+.
What are the key properties of N-tert-butyl-2-[(1R,5S)-3-(5,5-dimethyl-2-oxohexyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
N-tert-butyl-2-[(1R,5S)-3-(5,5-dimethyl-2-oxohexyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide has a molecular weight of 350.55 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(1R,5S)-3-(5,5-dimethyl-2-oxohexyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide is sourced from PubChem (CID 159359834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).