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

C21H32N2O — CID 131679151

IUPACN-[(3aR,4S,8bR)-2-(2-methylbutyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2,2-dimethylpropanamide
SMILESCCC(C)CN1C[C@@H]2[C@H](NC(=O)C(C)(C)C)c3ccccc3[C@@H]2C1
InChIInChI=1S/C21H32N2O/c1-6-14(2)11-23-12-17-15-9-7-8-10-16(15)19(18(17)13-23)22-20(24)21(3,4)5/h7-10,14,17-19H,6,11-13H2,1-5H3,(H,22,24)/t14?,17-,18-,19+/m0/s1
InChIKeyIXQXMAGWGMTXHM-BIAVLDQUSA-N
MW328.50 g/mol
LogP3.97
Rot. Bonds4

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

N-[(3aR,4S,8bR)-2-(2-methylbutyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2,2-dimethylpropanamide (PubChem CID 131679151) has the molecular formula C21H32N2O and a molecular weight of 328.50 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]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(3aR,4S,8bR)-2-(2-methylbutyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2,2-dimethylpropanamide
PubChem CID131679151
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC NameN-[(3aR,4S,8bR)-2-(2-methylbutyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2,2-dimethylpropanamide
SMILESCCC(C)CN1C[C@@H]2[C@H](NC(=O)C(C)(C)C)c3ccccc3[C@@H]2C1
InChIInChI=1S/C21H32N2O/c1-6-14(2)11-23-12-17-15-9-7-8-10-16(15)19(18(17)13-23)22-20(24)21(3,4)5/h7-10,14,17-19H,6,11-13H2,1-5H3,(H,22,24)/t14?,17-,18-,19+/m0/s1
InChIKeyIXQXMAGWGMTXHM-BIAVLDQUSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

N-[(3aR,4S,8bR)-2-(2-methylbutyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-methoxyacetamide
CID 131679157
N-[(3aR,4S,8bR)-2-butan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]pyridine-4-carboxamide
CID 131679348
N-[(3aR,4S,8bR)-2-[2-(dimethylamino)-2-oxoethyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-3-hydroxycyclobutane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155867222
N-(3-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,2-dimethylpropanamide
CID 168788131
N-[(3aR,4S,8bR)-2-butan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]pyridine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155866999
N-[(3aR,4S,8bR)-2-benzyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-(oxan-4-yl)acetamide;2,2,2-trifluoroacetic acid
CID 155867705
N-[1-benzyl-4-(2,2-dimethylpropanoylamino)pyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 53431992
N-[5-(1-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542165
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
N-(2-methoxyphenyl)-1-(2-methylbutyl)piperidine-4-carboxamide
CID 154750133
2,2-dimethyl-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]propanamide
CID 166867733
N-[(3aR,4S,8bR)-2-[2-(3-fluorophenoxy)ethyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid
CID 155868363

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]-2,2-dimethylpropanamide?
The IUPAC name of N-[(3aR,4S,8bR)-2-(2-methylbutyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2,2-dimethylpropanamide (CID 131679151) is N-[(3aR,4S,8bR)-2-(2-methylbutyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2,2-dimethylpropanamide.
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]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(3aR,4S,8bR)-2-(2-methylbutyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2,2-dimethylpropanamide is CCC(C)CN1C[C@@H]2[C@H](NC(=O)C(C)(C)C)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]-2,2-dimethylpropanamide?
The InChIKey is IXQXMAGWGMTXHM-BIAVLDQUSA-N. The full InChI is InChI=1S/C21H32N2O/c1-6-14(2)11-23-12-17-15-9-7-8-10-16(15)19(18(17)13-23)22-20(24)21(3,4)5/h7-10,14,17-19H,6,11-13H2,1-5H3,(H,22,24)/t14?,17-,18-,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]-2,2-dimethylpropanamide?
N-[(3aR,4S,8bR)-2-(2-methylbutyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2,2-dimethylpropanamide has a molecular weight of 328.50 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 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]-2,2-dimethylpropanamide is sourced from PubChem (CID 131679151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).