(2R,3aS,7aS)-2-methyl-N-[(2S)-oxan-2-yl]oxy-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide

C15H26N2O3 — CID 124743441

IUPAC(2R,3aS,7aS)-2-methyl-N-[(2S)-oxan-2-yl]oxy-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
SMILESC[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NO[C@H]1CCCCO1
InChIInChI=1S/C15H26N2O3/c1-11-10-12-6-2-3-7-13(12)17(11)15(18)16-20-14-8-4-5-9-19-14/h11-14H,2-10H2,1H3,(H,16,18)/t11-,12+,13+,14+/m1/s1
InChIKeyYUIIPUCAVDCOOM-RFGFWPKPSA-N
MW282.38 g/mol
LogP2.81
Rot. Bonds2

About (2R,3aS,7aS)-2-methyl-N-[(2S)-oxan-2-yl]oxy-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide

(2R,3aS,7aS)-2-methyl-N-[(2S)-oxan-2-yl]oxy-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide (PubChem CID 124743441) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (2R,3aS,7aS)-2-methyl-N-[(2S)-oxan-2-yl]oxy-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide.

Molecular Properties

Compound Name(2R,3aS,7aS)-2-methyl-N-[(2S)-oxan-2-yl]oxy-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
PubChem CID124743441
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(2R,3aS,7aS)-2-methyl-N-[(2S)-oxan-2-yl]oxy-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
SMILESC[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NO[C@H]1CCCCO1
InChIInChI=1S/C15H26N2O3/c1-11-10-12-6-2-3-7-13(12)17(11)15(18)16-20-14-8-4-5-9-19-14/h11-14H,2-10H2,1H3,(H,16,18)/t11-,12+,13+,14+/m1/s1
InChIKeyYUIIPUCAVDCOOM-RFGFWPKPSA-N
XLogP2.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R,3aS,7aS)-2-methyl-N-[(2S)-oxan-2-yl]oxy-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide 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

(2S)-2-methyl-N-[(2S)-oxan-2-yl]oxypiperidine-1-carboxamide
CID 99718680
tert-butyl N-(oxan-2-yloxy)carbamate
CID 11790630
trans-(1R,2R)-2-cyclohexyl-N-[(2R)-oxan-2-yl]oxycyclopropane-1-carboxamide
CID 99716407
N-(oxan-2-yloxy)cyclopropanecarboxamide
CID 130685295
[(2R,3aS,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[(1S,3R)-3-aminocyclopentyl]methanone
CID 124861773
(2R,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxyoxolane-2-carboxamide
CID 97023842
1-[(2R,3aS,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-methylpropan-1-one
CID 58649190
methyl 5-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)amino]pentanoate
CID 71920809
N-(oxan-2-yloxy)hexanamide
CID 142707517
(3-aminocyclopentyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone;hydrochloride
CID 119039188
(3-aminocyclohexyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
CID 119784899
(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(4-methylmorpholin-2-yl)methanone
CID 71925438

Frequently Asked Questions

What is the IUPAC name of (2R,3aS,7aS)-2-methyl-N-[(2S)-oxan-2-yl]oxy-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
The IUPAC name of (2R,3aS,7aS)-2-methyl-N-[(2S)-oxan-2-yl]oxy-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide (CID 124743441) is (2R,3aS,7aS)-2-methyl-N-[(2S)-oxan-2-yl]oxy-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide.
What is the SMILES notation for (2R,3aS,7aS)-2-methyl-N-[(2S)-oxan-2-yl]oxy-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
The canonical SMILES for (2R,3aS,7aS)-2-methyl-N-[(2S)-oxan-2-yl]oxy-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide is C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NO[C@H]1CCCCO1.
What is the InChIKey of (2R,3aS,7aS)-2-methyl-N-[(2S)-oxan-2-yl]oxy-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
The InChIKey is YUIIPUCAVDCOOM-RFGFWPKPSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-10-12-6-2-3-7-13(12)17(11)15(18)16-20-14-8-4-5-9-19-14/h11-14H,2-10H2,1H3,(H,16,18)/t11-,12+,13+,14+/m1/s1.
What are the key properties of (2R,3aS,7aS)-2-methyl-N-[(2S)-oxan-2-yl]oxy-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
(2R,3aS,7aS)-2-methyl-N-[(2S)-oxan-2-yl]oxy-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide has a molecular weight of 282.38 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,7aS)-2-methyl-N-[(2S)-oxan-2-yl]oxy-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide is sourced from PubChem (CID 124743441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).