(2S)-N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide

C23H29NO3 — CID 163312810

IUPAC(2S)-N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)N(C)C3C[C@H]4CC(O)C[C@H]4C3)ccc2c1
InChIInChI=1S/C23H29NO3/c1-14(15-4-5-17-13-22(27-3)7-6-16(17)8-15)23(26)24(2)20-9-18-11-21(25)12-19(18)10-20/h4-8,13-14,18-21,25H,9-12H2,1-3H3/t14-,18-,19+,20?,21?/m0/s1
InChIKeySXVKBUZTYRIAAK-HYWNPFCZSA-N
MW367.49 g/mol
LogP3.96
Rot. Bonds4

About (2S)-N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide

(2S)-N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide (PubChem CID 163312810) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is (2S)-N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
PubChem CID163312810
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name(2S)-N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)N(C)C3C[C@H]4CC(O)C[C@H]4C3)ccc2c1
InChIInChI=1S/C23H29NO3/c1-14(15-4-5-17-13-22(27-3)7-6-16(17)8-15)23(26)24(2)20-9-18-11-21(25)12-19(18)10-20/h4-8,13-14,18-21,25H,9-12H2,1-3H3/t14-,18-,19+,20?,21?/m0/s1
InChIKeySXVKBUZTYRIAAK-HYWNPFCZSA-N
XLogP3.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide 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

N-cyclohexyl-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
CID 74853038
potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 173070735
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid);piperazine
CID 76968825
[4-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethyl]cyclohexyl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 164936733
(2R)-1-(1-bicyclo[1.1.0]butanyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 166607004
2-(6-methoxynaphthalen-2-yl)-N,N-bis(prop-2-enyl)propanamide
CID 73441725
(2S)-N-(2-aminophenyl)-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
CID 143377610
(2S)-N-(4-methoxycyclohexyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 163313623

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide?
The IUPAC name of (2S)-N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide (CID 163312810) is (2S)-N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide.
What is the SMILES notation for (2S)-N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide?
The canonical SMILES for (2S)-N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide is COc1ccc2cc([C@H](C)C(=O)N(C)C3C[C@H]4CC(O)C[C@H]4C3)ccc2c1.
What is the InChIKey of (2S)-N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide?
The InChIKey is SXVKBUZTYRIAAK-HYWNPFCZSA-N. The full InChI is InChI=1S/C23H29NO3/c1-14(15-4-5-17-13-22(27-3)7-6-16(17)8-15)23(26)24(2)20-9-18-11-21(25)12-19(18)10-20/h4-8,13-14,18-21,25H,9-12H2,1-3H3/t14-,18-,19+,20?,21?/m0/s1.
What are the key properties of (2S)-N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide?
(2S)-N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide has a molecular weight of 367.49 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide is sourced from PubChem (CID 163312810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).