(1S,5S)-N-[(2S)-2-benzyl-3-methylbutyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide

C20H30N2O2 — CID 129429272

IUPAC(1S,5S)-N-[(2S)-2-benzyl-3-methylbutyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCC(C)[C@@H](CNC(=O)N1[C@H]2CC[C@H]1CC(O)C2)Cc1ccccc1
InChIInChI=1S/C20H30N2O2/c1-14(2)16(10-15-6-4-3-5-7-15)13-21-20(24)22-17-8-9-18(22)12-19(23)11-17/h3-7,14,16-19,23H,8-13H2,1-2H3,(H,21,24)/t16-,17+,18+/m1/s1
InChIKeyAHOJZZODFSSNLW-SQNIBIBYSA-N
MW330.47 g/mol
LogP3.20
Rot. Bonds5

About (1S,5S)-N-[(2S)-2-benzyl-3-methylbutyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide

(1S,5S)-N-[(2S)-2-benzyl-3-methylbutyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 129429272) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is (1S,5S)-N-[(2S)-2-benzyl-3-methylbutyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name(1S,5S)-N-[(2S)-2-benzyl-3-methylbutyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID129429272
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name(1S,5S)-N-[(2S)-2-benzyl-3-methylbutyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCC(C)[C@@H](CNC(=O)N1[C@H]2CC[C@H]1CC(O)C2)Cc1ccccc1
InChIInChI=1S/C20H30N2O2/c1-14(2)16(10-15-6-4-3-5-7-15)13-21-20(24)22-17-8-9-18(22)12-19(23)11-17/h3-7,14,16-19,23H,8-13H2,1-2H3,(H,21,24)/t16-,17+,18+/m1/s1
InChIKeyAHOJZZODFSSNLW-SQNIBIBYSA-N
XLogP3.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,5S)-N-[(2S)-2-benzyl-3-methylbutyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide with MolForge

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Related Compounds

N-(2-benzyl-3-methylbutyl)-2-(cyclopropylmethoxy)acetamide
CID 119045232
2-[8-(2,3-dimethylbutylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79609673
(1S,5S)-N-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 129429562
(1S,5S)-3-hydroxy-N-[[3-(methylsulfanylmethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 99823913
(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol;2-phenylacetic acid;hydrochloride
CID 21127000
5-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]-2-methylpentanoic acid
CID 104686686
(1S,5R)-3-methylsulfanyl-N-(2-phenylethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 129409721
(2R)-2-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]-3-methylbutanoic acid
CID 79010368
N-(2-benzyl-3-methylbutyl)-2-pyridin-3-ylacetamide
CID 119045205
1-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2,2-diphenylethanone
CID 98176888
(2-benzyl-3-methylbutyl)benzene
CID 22277918
(2S)-2-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]-4-methylpentanoic acid
CID 63768250

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-N-[(2S)-2-benzyl-3-methylbutyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of (1S,5S)-N-[(2S)-2-benzyl-3-methylbutyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 129429272) is (1S,5S)-N-[(2S)-2-benzyl-3-methylbutyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for (1S,5S)-N-[(2S)-2-benzyl-3-methylbutyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for (1S,5S)-N-[(2S)-2-benzyl-3-methylbutyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide is CC(C)[C@@H](CNC(=O)N1[C@H]2CC[C@H]1CC(O)C2)Cc1ccccc1.
What is the InChIKey of (1S,5S)-N-[(2S)-2-benzyl-3-methylbutyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is AHOJZZODFSSNLW-SQNIBIBYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-14(2)16(10-15-6-4-3-5-7-15)13-21-20(24)22-17-8-9-18(22)12-19(23)11-17/h3-7,14,16-19,23H,8-13H2,1-2H3,(H,21,24)/t16-,17+,18+/m1/s1.
What are the key properties of (1S,5S)-N-[(2S)-2-benzyl-3-methylbutyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
(1S,5S)-N-[(2S)-2-benzyl-3-methylbutyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-N-[(2S)-2-benzyl-3-methylbutyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 129429272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).