N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-naphthalen-1-ylacetamide

C22H21NO — CID 97184949

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-naphthalen-1-ylacetamide
SMILESCN(C(=O)Cc1cccc2ccccc12)[C@H]1CCc2ccccc21
InChIInChI=1S/C22H21NO/c1-23(21-14-13-17-8-3-5-12-20(17)21)22(24)15-18-10-6-9-16-7-2-4-11-19(16)18/h2-12,21H,13-15H2,1H3/t21-/m0/s1
InChIKeyQQICDODIQNCQCG-NRFANRHFSA-N
MW315.42 g/mol
LogP4.53
Rot. Bonds3

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-naphthalen-1-ylacetamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-naphthalen-1-ylacetamide (PubChem CID 97184949) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-naphthalen-1-ylacetamide
PubChem CID97184949
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-naphthalen-1-ylacetamide
SMILESCN(C(=O)Cc1cccc2ccccc12)[C@H]1CCc2ccccc21
InChIInChI=1S/C22H21NO/c1-23(21-14-13-17-8-3-5-12-20(17)21)22(24)15-18-10-6-9-16-7-2-4-11-19(16)18/h2-12,21H,13-15H2,1H3/t21-/m0/s1
InChIKeyQQICDODIQNCQCG-NRFANRHFSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-N-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 134791752
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 52557701
4-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-4-oxobutanoic acid
CID 43578444
N-methyl-2-naphthalen-1-yl-N-[(5S,6S)-6-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]acetamide
CID 54362115
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]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
CID 35203798
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
N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methyl-2-naphthalen-1-ylacetamide
CID 70604955
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-naphthalen-1-ylacetamide
CID 36674335
N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylpropanamide
CID 47175434

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-naphthalen-1-ylacetamide (CID 97184949) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-naphthalen-1-ylacetamide is CN(C(=O)Cc1cccc2ccccc12)[C@H]1CCc2ccccc21.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-naphthalen-1-ylacetamide?
The InChIKey is QQICDODIQNCQCG-NRFANRHFSA-N. The full InChI is InChI=1S/C22H21NO/c1-23(21-14-13-17-8-3-5-12-20(17)21)22(24)15-18-10-6-9-16-7-2-4-11-19(16)18/h2-12,21H,13-15H2,1H3/t21-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-naphthalen-1-ylacetamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-naphthalen-1-ylacetamide has a molecular weight of 315.42 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 97184949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).