2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide

C16H24N2O2 — CID 111333591

IUPAC2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(CCO)C1CCc2ccccc21
InChIInChI=1S/C16H24N2O2/c1-12(2)17-16(20)11-18(9-10-19)15-8-7-13-5-3-4-6-14(13)15/h3-6,12,15,19H,7-11H2,1-2H3,(H,17,20)
InChIKeyBMBRBEYDMRFGIG-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.49
Rot. Bonds6

About 2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide

2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide (PubChem CID 111333591) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide
PubChem CID111333591
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(CCO)C1CCc2ccccc21
InChIInChI=1S/C16H24N2O2/c1-12(2)17-16(20)11-18(9-10-19)15-8-7-13-5-3-4-6-14(13)15/h3-6,12,15,19H,7-11H2,1-2H3,(H,17,20)
InChIKeyBMBRBEYDMRFGIG-UHFFFAOYSA-N
XLogP1.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 111436327
N-[(1R)-1-(furan-2-yl)ethyl]-2-[2-hydroxyethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 95325971
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 95322140
2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-(2,5-dimethylphenyl)acetamide
CID 111333592
2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-prop-2-enylacetamide
CID 111332324
2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 111332276
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 134052147
2-[propyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 65064550
3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol
CID 111333724
2-[2-methylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 65064011
N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide
CID 95627739
2-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 111799381

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide (CID 111333591) is 2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(CCO)C1CCc2ccccc21.
What is the InChIKey of 2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide?
The InChIKey is BMBRBEYDMRFGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)17-16(20)11-18(9-10-19)15-8-7-13-5-3-4-6-14(13)15/h3-6,12,15,19H,7-11H2,1-2H3,(H,17,20).
What are the key properties of 2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide?
2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide has a molecular weight of 276.38 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 111333591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).