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

C19H21NO2 — CID 52557701

IUPACN-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)[C@@H]2CCc3ccccc32)cc1
InChIInChI=1S/C19H21NO2/c1-20(18-12-9-15-5-3-4-6-17(15)18)19(21)13-14-7-10-16(22-2)11-8-14/h3-8,10-11,18H,9,12-13H2,1-2H3/t18-/m1/s1
InChIKeyMQLWESJOFFQGNM-GOSISDBHSA-N
MW295.38 g/mol
LogP3.38
Rot. Bonds4

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

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methoxyphenyl)-N-methylacetamide (PubChem CID 52557701) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methoxyphenyl)-N-methylacetamide
PubChem CID52557701
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)[C@@H]2CCc3ccccc32)cc1
InChIInChI=1S/C19H21NO2/c1-20(18-12-9-15-5-3-4-6-17(15)18)19(21)13-14-7-10-16(22-2)11-8-14/h3-8,10-11,18H,9,12-13H2,1-2H3/t18-/m1/s1
InChIKeyMQLWESJOFFQGNM-GOSISDBHSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-N-methylbenzamide
CID 18283889
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-naphthalen-1-ylacetamide
CID 97184949
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 134043050
4-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-4-oxobutanoic acid
CID 43578444
N-methyl-2-pyridin-3-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 96575672
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
[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8551310
1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 65446449
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-[3-[2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421738

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methoxyphenyl)-N-methylacetamide?
The IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methoxyphenyl)-N-methylacetamide (CID 52557701) is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methoxyphenyl)-N-methylacetamide is COc1ccc(CC(=O)N(C)[C@@H]2CCc3ccccc32)cc1.
What is the InChIKey of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methoxyphenyl)-N-methylacetamide?
The InChIKey is MQLWESJOFFQGNM-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21NO2/c1-20(18-12-9-15-5-3-4-6-17(15)18)19(21)13-14-7-10-16(22-2)11-8-14/h3-8,10-11,18H,9,12-13H2,1-2H3/t18-/m1/s1.
What are the key properties of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methoxyphenyl)-N-methylacetamide?
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methoxyphenyl)-N-methylacetamide has a molecular weight of 295.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 52557701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).