(2S)-2-hydroxy-3,3-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)butanamide

C17H31NO2 — CID 168727038

IUPAC(2S)-2-hydroxy-3,3-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)butanamide
SMILESCC(C)C12CCC(NC(=O)[C@@H](O)C(C)(C)C)(CC1)CC2
InChIInChI=1S/C17H31NO2/c1-12(2)16-6-9-17(10-7-16,11-8-16)18-14(20)13(19)15(3,4)5/h12-13,19H,6-11H2,1-5H3,(H,18,20)/t13-,16?,17?/m1/s1
InChIKeyKRPOUSBNENOAFY-NVPAJSRCSA-N
MW281.44 g/mol
LogP3.26
Rot. Bonds3

About (2S)-2-hydroxy-3,3-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)butanamide

(2S)-2-hydroxy-3,3-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)butanamide (PubChem CID 168727038) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is (2S)-2-hydroxy-3,3-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)butanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-3,3-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)butanamide
PubChem CID168727038
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name(2S)-2-hydroxy-3,3-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)butanamide
SMILESCC(C)C12CCC(NC(=O)[C@@H](O)C(C)(C)C)(CC1)CC2
InChIInChI=1S/C17H31NO2/c1-12(2)16-6-9-17(10-7-16,11-8-16)18-14(20)13(19)15(3,4)5/h12-13,19H,6-11H2,1-5H3,(H,18,20)/t13-,16?,17?/m1/s1
InChIKeyKRPOUSBNENOAFY-NVPAJSRCSA-N
XLogP3.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-hydroxy-3,3-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)butanamide with MolForge

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Related Compounds

tert-butyl 4-[(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)carbamoyl]piperazine-1-carboxylate
CID 168726926
ethane;molecular hydrogen;4-[(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)carbamoyl]piperazine-1-carboxylic acid
CID 156836664
2,3,3-trimethyl-N-(1-methylcyclobutyl)butanamide
CID 146286414
(4-propan-2-yl-1-bicyclo[2.2.2]octanyl) N-methylcarbamate
CID 146393560
1,4-di(propan-2-yl)bicyclo[2.2.1]heptane;1,4-di(propan-2-yl)bicyclo[2.2.2]octane
CID 159542444
1-propan-2-yl-4-prop-1-en-2-ylbicyclo[2.2.2]octane
CID 143346780
(2R)-2-hydroxy-N-(4-methyloxan-4-yl)propanamide
CID 130718981
tert-butyl N-[1-(1-hydroxy-2-methylpropyl)cyclopropyl]carbamate
CID 167733960
3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one
CID 58488534
1,5-di(propan-2-yl)bicyclo[3.3.3]undecane
CID 177092419
(2S)-2-amino-N-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 106213284
tert-butyl N-(1-propan-2-ylcyclopropyl)carbamate
CID 20811777

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3,3-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)butanamide?
The IUPAC name of (2S)-2-hydroxy-3,3-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)butanamide (CID 168727038) is (2S)-2-hydroxy-3,3-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)butanamide.
What is the SMILES notation for (2S)-2-hydroxy-3,3-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)butanamide?
The canonical SMILES for (2S)-2-hydroxy-3,3-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)butanamide is CC(C)C12CCC(NC(=O)[C@@H](O)C(C)(C)C)(CC1)CC2.
What is the InChIKey of (2S)-2-hydroxy-3,3-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)butanamide?
The InChIKey is KRPOUSBNENOAFY-NVPAJSRCSA-N. The full InChI is InChI=1S/C17H31NO2/c1-12(2)16-6-9-17(10-7-16,11-8-16)18-14(20)13(19)15(3,4)5/h12-13,19H,6-11H2,1-5H3,(H,18,20)/t13-,16?,17?/m1/s1.
What are the key properties of (2S)-2-hydroxy-3,3-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)butanamide?
(2S)-2-hydroxy-3,3-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)butanamide has a molecular weight of 281.44 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3,3-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)butanamide is sourced from PubChem (CID 168727038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).