N-[(2S)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide

C23H32N2O2 — CID 170036707

IUPACN-[(2S)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC(C)(C)[C@H](NC(=O)c1ccc2c(c1)CCC2)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C
InChIInChI=1S/C23H32N2O2/c1-22(2,3)19(21(27)25-12-17-18(13-25)23(17,4)5)24-20(26)16-10-9-14-7-6-8-15(14)11-16/h9-11,17-19H,6-8,12-13H2,1-5H3,(H,24,26)/t17-,18+,19-/m1/s1
InChIKeyVZOCEGQXULCYIY-CEXWTWQISA-N
MW368.52 g/mol
LogP3.43
Rot. Bonds3

About N-[(2S)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide

N-[(2S)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 170036707) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is N-[(2S)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID170036707
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC NameN-[(2S)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC(C)(C)[C@H](NC(=O)c1ccc2c(c1)CCC2)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C
InChIInChI=1S/C23H32N2O2/c1-22(2,3)19(21(27)25-12-17-18(13-25)23(17,4)5)24-20(26)16-10-9-14-7-6-8-15(14)11-16/h9-11,17-19H,6-8,12-13H2,1-5H3,(H,24,26)/t17-,18+,19-/m1/s1
InChIKeyVZOCEGQXULCYIY-CEXWTWQISA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide with MolForge

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Related Compounds

3,3-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid
CID 43467734
N-(5-bromopentan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114316446
N-pent-4-yn-2-yl-2,3-dihydro-1H-indene-5-carboxamide
CID 115661886
N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95358601
N-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114307626
methyl (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoate
CID 51681667
(2S)-2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-3,3-dimethylbutanoic acid
CID 103870959
N-[(1R)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 52539552
3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid
CID 43240739
(2S)-2-(2,3-dihydro-1H-indene-5-carbonylamino)butanedioic acid
CID 112732992
N-(1-aminohexan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 80697948
N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 47116639

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[(2S)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide (CID 170036707) is N-[(2S)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[(2S)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide is CC(C)(C)[C@H](NC(=O)c1ccc2c(c1)CCC2)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C.
What is the InChIKey of N-[(2S)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is VZOCEGQXULCYIY-CEXWTWQISA-N. The full InChI is InChI=1S/C23H32N2O2/c1-22(2,3)19(21(27)25-12-17-18(13-25)23(17,4)5)24-20(26)16-10-9-14-7-6-8-15(14)11-16/h9-11,17-19H,6-8,12-13H2,1-5H3,(H,24,26)/t17-,18+,19-/m1/s1.
What are the key properties of N-[(2S)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[(2S)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 368.52 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 170036707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).