N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide

C22H23NO2 — CID 35203798

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
SMILESCc1cc2occ(CC(=O)N(C)[C@H]3CCc4ccccc43)c2cc1C
InChIInChI=1S/C22H23NO2/c1-14-10-19-17(13-25-21(19)11-15(14)2)12-22(24)23(3)20-9-8-16-6-4-5-7-18(16)20/h4-7,10-11,13,20H,8-9,12H2,1-3H3/t20-/m0/s1
InChIKeyFIWIJDROTYHDCI-FQEVSTJZSA-N
MW333.43 g/mol
LogP4.74
Rot. Bonds3

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide (PubChem CID 35203798) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
PubChem CID35203798
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
SMILESCc1cc2occ(CC(=O)N(C)[C@H]3CCc4ccccc43)c2cc1C
InChIInChI=1S/C22H23NO2/c1-14-10-19-17(13-25-21(19)11-15(14)2)12-22(24)23(3)20-9-8-16-6-4-5-7-18(16)20/h4-7,10-11,13,20H,8-9,12H2,1-3H3/t20-/m0/s1
InChIKeyFIWIJDROTYHDCI-FQEVSTJZSA-N
XLogP4.74
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-naphthalen-1-ylacetamide
CID 97184949
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119550456
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 46954636
4-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-4-oxobutanoic acid
CID 43578444
6,7-dimethyl-4-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]chromen-2-one
CID 9260416
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 52557701
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 47147849
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3,3-diphenylpropanamide
CID 42941217
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(N-methylanilino)acetamide
CID 52500328
3-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide
CID 60837017
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 51927353
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-2-morpholin-2-ylacetamide
CID 66433005

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide (CID 35203798) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide is Cc1cc2occ(CC(=O)N(C)[C@H]3CCc4ccccc43)c2cc1C.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide?
The InChIKey is FIWIJDROTYHDCI-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23NO2/c1-14-10-19-17(13-25-21(19)11-15(14)2)12-22(24)23(3)20-9-8-16-6-4-5-7-18(16)20/h4-7,10-11,13,20H,8-9,12H2,1-3H3/t20-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide has a molecular weight of 333.43 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide is sourced from PubChem (CID 35203798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).