N-[(3aR,4S,8bR)-2-(2-methylbutyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-methoxyacetamide

C19H28N2O2 — CID 131679157

IUPACN-[(3aR,4S,8bR)-2-(2-methylbutyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-methoxyacetamide
SMILESCCC(C)CN1C[C@@H]2[C@H](NC(=O)COC)c3ccccc3[C@@H]2C1
InChIInChI=1S/C19H28N2O2/c1-4-13(2)9-21-10-16-14-7-5-6-8-15(14)19(17(16)11-21)20-18(22)12-23-3/h5-8,13,16-17,19H,4,9-12H2,1-3H3,(H,20,22)/t13?,16-,17-,19+/m0/s1
InChIKeyWRCCBZVOLCHFTO-DCFZERCOSA-N
MW316.45 g/mol
LogP2.57
Rot. Bonds6

About N-[(3aR,4S,8bR)-2-(2-methylbutyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-methoxyacetamide

N-[(3aR,4S,8bR)-2-(2-methylbutyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-methoxyacetamide (PubChem CID 131679157) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[(3aR,4S,8bR)-2-(2-methylbutyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(3aR,4S,8bR)-2-(2-methylbutyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-methoxyacetamide
PubChem CID131679157
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC NameN-[(3aR,4S,8bR)-2-(2-methylbutyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-methoxyacetamide
SMILESCCC(C)CN1C[C@@H]2[C@H](NC(=O)COC)c3ccccc3[C@@H]2C1
InChIInChI=1S/C19H28N2O2/c1-4-13(2)9-21-10-16-14-7-5-6-8-15(14)19(17(16)11-21)20-18(22)12-23-3/h5-8,13,16-17,19H,4,9-12H2,1-3H3,(H,20,22)/t13?,16-,17-,19+/m0/s1
InChIKeyWRCCBZVOLCHFTO-DCFZERCOSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3aR,4S,8bR)-2-(2-methylbutyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-methoxyacetamide?
The IUPAC name of N-[(3aR,4S,8bR)-2-(2-methylbutyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-methoxyacetamide (CID 131679157) is N-[(3aR,4S,8bR)-2-(2-methylbutyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(3aR,4S,8bR)-2-(2-methylbutyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(3aR,4S,8bR)-2-(2-methylbutyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-methoxyacetamide is CCC(C)CN1C[C@@H]2[C@H](NC(=O)COC)c3ccccc3[C@@H]2C1.
What is the InChIKey of N-[(3aR,4S,8bR)-2-(2-methylbutyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-methoxyacetamide?
The InChIKey is WRCCBZVOLCHFTO-DCFZERCOSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-4-13(2)9-21-10-16-14-7-5-6-8-15(14)19(17(16)11-21)20-18(22)12-23-3/h5-8,13,16-17,19H,4,9-12H2,1-3H3,(H,20,22)/t13?,16-,17-,19+/m0/s1.
What are the key properties of N-[(3aR,4S,8bR)-2-(2-methylbutyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-methoxyacetamide?
N-[(3aR,4S,8bR)-2-(2-methylbutyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-methoxyacetamide has a molecular weight of 316.45 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,4S,8bR)-2-(2-methylbutyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 131679157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).