2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-propylacetamide

C22H28N2O — CID 60514069

IUPAC2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(Cc1ccc(C)cc1)C1CCc2ccccc21
InChIInChI=1S/C22H28N2O/c1-3-14-23-22(25)16-24(15-18-10-8-17(2)9-11-18)21-13-12-19-6-4-5-7-20(19)21/h4-11,21H,3,12-16H2,1-2H3,(H,23,25)
InChIKeyHCOQSJYUOWODNE-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.01
Rot. Bonds7

About 2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-propylacetamide

2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-propylacetamide (PubChem CID 60514069) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-propylacetamide
PubChem CID60514069
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(Cc1ccc(C)cc1)C1CCc2ccccc21
InChIInChI=1S/C22H28N2O/c1-3-14-23-22(25)16-24(15-18-10-8-17(2)9-11-18)21-13-12-19-6-4-5-7-20(19)21/h4-11,21H,3,12-16H2,1-2H3,(H,23,25)
InChIKeyHCOQSJYUOWODNE-UHFFFAOYSA-N
XLogP4.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanocyclopentyl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide
CID 47056936
N-(3-cyanothiophen-2-yl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide
CID 55840782
2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 60514088
2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 47056938
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-ethylacetamide
CID 134043159
2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-(2,5-dimethylphenyl)acetamide
CID 111333592
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78900493
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 37058374
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 95322140
N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55991774
2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide
CID 111333591
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 134043050

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-propylacetamide?
The IUPAC name of 2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-propylacetamide (CID 60514069) is 2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-propylacetamide is CCCNC(=O)CN(Cc1ccc(C)cc1)C1CCc2ccccc21.
What is the InChIKey of 2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-propylacetamide?
The InChIKey is HCOQSJYUOWODNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-3-14-23-22(25)16-24(15-18-10-8-17(2)9-11-18)21-13-12-19-6-4-5-7-20(19)21/h4-11,21H,3,12-16H2,1-2H3,(H,23,25).
What are the key properties of 2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-propylacetamide?
2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-propylacetamide has a molecular weight of 336.48 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-propylacetamide is sourced from PubChem (CID 60514069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).