2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide

C20H23NO3 — CID 95121443

IUPAC2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)C[C@@H]2CCc3ccccc32)cc1O
InChIInChI=1S/C20H23NO3/c1-21(13-14-7-10-19(24-2)18(22)11-14)20(23)12-16-9-8-15-5-3-4-6-17(15)16/h3-7,10-11,16,22H,8-9,12-13H2,1-2H3/t16-/m0/s1
InChIKeyBXFDFQUMRSHWLN-INIZCTEOSA-N
MW325.41 g/mol
LogP3.48
Rot. Bonds5

About 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide

2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 95121443) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID95121443
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)C[C@@H]2CCc3ccccc32)cc1O
InChIInChI=1S/C20H23NO3/c1-21(13-14-7-10-19(24-2)18(22)11-14)20(23)12-16-9-8-15-5-3-4-6-17(15)16/h3-7,10-11,16,22H,8-9,12-13H2,1-2H3/t16-/m0/s1
InChIKeyBXFDFQUMRSHWLN-INIZCTEOSA-N
XLogP3.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 110648025
4-[[methyl-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]methyl]benzoic acid
CID 119226040
2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 131948792
3-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119301207
N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 119744992
2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-N-(2-phenoxyethyl)acetamide
CID 86955304
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 97145385
2-(2,3-dihydro-1H-inden-1-yl)-N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 70768798
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 47020637
N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylindol-1-yl)acetamide
CID 71917845
2-[(3-hydroxy-4-methoxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 79833184
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methyl-N-phenylacetamide
CID 110649611

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide (CID 95121443) is 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide is COc1ccc(CN(C)C(=O)C[C@@H]2CCc3ccccc32)cc1O.
What is the InChIKey of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is BXFDFQUMRSHWLN-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23NO3/c1-21(13-14-7-10-19(24-2)18(22)11-14)20(23)12-16-9-8-15-5-3-4-6-17(15)16/h3-7,10-11,16,22H,8-9,12-13H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide?
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 325.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 95121443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).