2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide

C17H26N2O — CID 134052147

IUPAC2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN(C)C1CCc2ccccc21
InChIInChI=1S/C17H26N2O/c1-12(2)13(3)18-17(20)11-19(4)16-10-9-14-7-5-6-8-15(14)16/h5-8,12-13,16H,9-11H2,1-4H3,(H,18,20)
InChIKeySEJYVQYQRHWJHO-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.77
Rot. Bonds5

About 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide

2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 134052147) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide
PubChem CID134052147
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN(C)C1CCc2ccccc21
InChIInChI=1S/C17H26N2O/c1-12(2)13(3)18-17(20)11-19(4)16-10-9-14-7-5-6-8-15(14)16/h5-8,12-13,16H,9-11H2,1-4H3,(H,18,20)
InChIKeySEJYVQYQRHWJHO-UHFFFAOYSA-N
XLogP2.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-ethylacetamide
CID 134043159
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(methylcarbamoyl)acetamide
CID 47147183
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-methylphenyl)acetamide
CID 36674283
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 37058374
N-(tert-butylcarbamoyl)-2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetamide
CID 134043055
2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide
CID 111333591
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-naphthalen-1-ylacetamide
CID 36674335
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 134043135
4-[[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 36677187
N-(2-bromo-4-methylphenyl)-2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide
CID 36675023
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
N-(2,3-dihydro-1H-inden-5-yl)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide
CID 36676150

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide (CID 134052147) is 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CN(C)C1CCc2ccccc21.
What is the InChIKey of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is SEJYVQYQRHWJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)13(3)18-17(20)11-19(4)16-10-9-14-7-5-6-8-15(14)16/h5-8,12-13,16H,9-11H2,1-4H3,(H,18,20).
What are the key properties of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide?
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 274.41 g/mol, XLogP of 2.77, 5 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(methyl)amino]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 134052147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).