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

C25H37NO4 — CID 110153384

IUPACN-[(1S,2S,3R,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]cyclohexanecarboxamide
SMILESC[C@]12C[C@@H](c3ccccc3)C[C@](CCO)(CC[C@@H](NC(=O)C3CCCCC3)[C@@H]1O)O2
InChIInChI=1S/C25H37NO4/c1-24-16-20(18-8-4-2-5-9-18)17-25(30-24,14-15-27)13-12-21(22(24)28)26-23(29)19-10-6-3-7-11-19/h2,4-5,8-9,19-22,27-28H,3,6-7,10-17H2,1H3,(H,26,29)/t20-,21-,22+,24+,25-/m1/s1
InChIKeySPVYKLFXSRPMQV-FQFZUICKSA-N
MW415.57 g/mol
LogP3.68
Rot. Bonds5

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

N-[(1S,2S,3R,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]cyclohexanecarboxamide (PubChem CID 110153384) has the molecular formula C25H37NO4 and a molecular weight of 415.57 g/mol. Its IUPAC name is N-[(1S,2S,3R,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1S,2S,3R,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]cyclohexanecarboxamide
PubChem CID110153384
Molecular FormulaC25H37NO4
Molecular Weight415.57 g/mol
Exact Mass415.27
IUPAC NameN-[(1S,2S,3R,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]cyclohexanecarboxamide
SMILESC[C@]12C[C@@H](c3ccccc3)C[C@](CCO)(CC[C@@H](NC(=O)C3CCCCC3)[C@@H]1O)O2
InChIInChI=1S/C25H37NO4/c1-24-16-20(18-8-4-2-5-9-18)17-25(30-24,14-15-27)13-12-21(22(24)28)26-23(29)19-10-6-3-7-11-19/h2,4-5,8-9,19-22,27-28H,3,6-7,10-17H2,1H3,(H,26,29)/t20-,21-,22+,24+,25-/m1/s1
InChIKeySPVYKLFXSRPMQV-FQFZUICKSA-N
XLogP3.68
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.57
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-[(1S,2R,3S,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]-N-methyl-2-morpholin-4-ylacetamide
CID 110153476
(2S,3R,8S)-1,6-dimethyl-3-(methylamino)-8-phenyl-10-oxabicyclo[4.3.1]decan-2-ol
CID 110157710
N-[(1S,2R,3S,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]-N-methyl-3-(2-oxopyrrolidin-1-yl)propanamide
CID 110153508
N-[(1S,2S,3R,6S,8S)-2-hydroxy-6-(hydroxymethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]-4-methoxybenzenesulfonamide
CID 110153411
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
N-[(1S,2S)-2-phenylcyclopentyl]cyclohexanecarboxamide
CID 67394032
N-[(1R,2S,4aR,7S,8S,8aS)-8-hydroxy-1,4a-dimethyl-7-[(2S)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]cyclohexanecarboxamide
CID 162805612
N-(4-hydroxy-4-methyl-2-phenyl-1-propylpiperidin-3-yl)cyclopentanecarboxamide
CID 162968981
N-(1-benzyl-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl)cyclopentanecarboxamide
CID 162801614
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)cyclohexanecarboxamide
CID 133256868
N-[1-(3,3-dimethylbutyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
CID 162933425

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,3R,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(1S,2S,3R,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]cyclohexanecarboxamide (CID 110153384) is N-[(1S,2S,3R,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(1S,2S,3R,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(1S,2S,3R,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]cyclohexanecarboxamide is C[C@]12C[C@@H](c3ccccc3)C[C@](CCO)(CC[C@@H](NC(=O)C3CCCCC3)[C@@H]1O)O2.
What is the InChIKey of N-[(1S,2S,3R,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]cyclohexanecarboxamide?
The InChIKey is SPVYKLFXSRPMQV-FQFZUICKSA-N. The full InChI is InChI=1S/C25H37NO4/c1-24-16-20(18-8-4-2-5-9-18)17-25(30-24,14-15-27)13-12-21(22(24)28)26-23(29)19-10-6-3-7-11-19/h2,4-5,8-9,19-22,27-28H,3,6-7,10-17H2,1H3,(H,26,29)/t20-,21-,22+,24+,25-/m1/s1.
What are the key properties of N-[(1S,2S,3R,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]cyclohexanecarboxamide?
N-[(1S,2S,3R,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]cyclohexanecarboxamide has a molecular weight of 415.57 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,3R,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 110153384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).