N-[[(1S,2S,3S,6S,8S)-2-hydroxy-1,6-dimethyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]methyl]-2-methylpropanamide

C22H33NO3 — CID 110153374

IUPACN-[[(1S,2S,3S,6S,8S)-2-hydroxy-1,6-dimethyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O
InChIInChI=1S/C22H33NO3/c1-15(2)20(25)23-14-17-10-11-21(3)12-18(16-8-6-5-7-9-16)13-22(4,26-21)19(17)24/h5-9,15,17-19,24H,10-14H2,1-4H3,(H,23,25)/t17-,18-,19-,21-,22-/m0/s1
InChIKeyLEOSVOMUONIEIW-PAPPXSOASA-N
MW359.51 g/mol
LogP3.64
Rot. Bonds4

About N-[[(1S,2S,3S,6S,8S)-2-hydroxy-1,6-dimethyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]methyl]-2-methylpropanamide

N-[[(1S,2S,3S,6S,8S)-2-hydroxy-1,6-dimethyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]methyl]-2-methylpropanamide (PubChem CID 110153374) has the molecular formula C22H33NO3 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-[[(1S,2S,3S,6S,8S)-2-hydroxy-1,6-dimethyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[(1S,2S,3S,6S,8S)-2-hydroxy-1,6-dimethyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]methyl]-2-methylpropanamide
PubChem CID110153374
Molecular FormulaC22H33NO3
Molecular Weight359.51 g/mol
Exact Mass359.25
IUPAC NameN-[[(1S,2S,3S,6S,8S)-2-hydroxy-1,6-dimethyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O
InChIInChI=1S/C22H33NO3/c1-15(2)20(25)23-14-17-10-11-21(3)12-18(16-8-6-5-7-9-16)13-22(4,26-21)19(17)24/h5-9,15,17-19,24H,10-14H2,1-4H3,(H,23,25)/t17-,18-,19-,21-,22-/m0/s1
InChIKeyLEOSVOMUONIEIW-PAPPXSOASA-N
XLogP3.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[(1S,2S,3S,6S,8S)-2-hydroxy-1,6-dimethyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]methyl]-2-methylpropanamide with MolForge

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Related Compounds

(2S,3R,8S)-1,6-dimethyl-3-(methylamino)-8-phenyl-10-oxabicyclo[4.3.1]decan-2-ol
CID 110157710
2-ethoxy-N-[(1S,2S,3R,6S,8S)-2-hydroxy-1,6-dimethyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]-N-methylacetamide
CID 110153267
N-[(1S,2R,3S,6S,8S)-2-hydroxy-1,6-dimethyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]-N-methyl-1,3-oxazole-5-carboxamide
CID 155901535
(1S,2R,3S,6S,8S)-3-[1H-imidazol-5-ylmethyl(methyl)amino]-1,6-dimethyl-8-phenyl-10-oxabicyclo[4.3.1]decan-2-ol
CID 110153265
2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide
CID 28650865
(2S)-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-phenylpropanamide
CID 129445920
2-methyl-N-(3-phenylcyclobutyl)propanamide
CID 166834731
3-fluoro-N-[(1S,2S,3R,6S,8S)-2-hydroxy-6-(hydroxymethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]benzamide
CID 110153398
2-(methanesulfonamido)-N-[(4-phenylcyclohexyl)methyl]propanamide
CID 56783962
2-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
CID 42940509
N-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-phenylpropanamide
CID 111471021
(2S)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyrrol-1-ylpropanamide
CID 129328039

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2S,3S,6S,8S)-2-hydroxy-1,6-dimethyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[(1S,2S,3S,6S,8S)-2-hydroxy-1,6-dimethyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]methyl]-2-methylpropanamide (CID 110153374) is N-[[(1S,2S,3S,6S,8S)-2-hydroxy-1,6-dimethyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[(1S,2S,3S,6S,8S)-2-hydroxy-1,6-dimethyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[(1S,2S,3S,6S,8S)-2-hydroxy-1,6-dimethyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NC[C@@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O.
What is the InChIKey of N-[[(1S,2S,3S,6S,8S)-2-hydroxy-1,6-dimethyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]methyl]-2-methylpropanamide?
The InChIKey is LEOSVOMUONIEIW-PAPPXSOASA-N. The full InChI is InChI=1S/C22H33NO3/c1-15(2)20(25)23-14-17-10-11-21(3)12-18(16-8-6-5-7-9-16)13-22(4,26-21)19(17)24/h5-9,15,17-19,24H,10-14H2,1-4H3,(H,23,25)/t17-,18-,19-,21-,22-/m0/s1.
What are the key properties of N-[[(1S,2S,3S,6S,8S)-2-hydroxy-1,6-dimethyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]methyl]-2-methylpropanamide?
N-[[(1S,2S,3S,6S,8S)-2-hydroxy-1,6-dimethyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]methyl]-2-methylpropanamide has a molecular weight of 359.51 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2S,3S,6S,8S)-2-hydroxy-1,6-dimethyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 110153374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).