2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-(2-methoxyethyl)acetamide

C15H22N2O3 — CID 107685007

IUPAC2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)C1CCc2cc(O)ccc21
InChIInChI=1S/C15H22N2O3/c1-17(10-15(19)16-7-8-20-2)14-6-3-11-9-12(18)4-5-13(11)14/h4-5,9,14,18H,3,6-8,10H2,1-2H3,(H,16,19)
InChIKeyVZKRHRQVLYPVQD-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.07
Rot. Bonds6

About 2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-(2-methoxyethyl)acetamide

2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 107685007) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID107685007
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)C1CCc2cc(O)ccc21
InChIInChI=1S/C15H22N2O3/c1-17(10-15(19)16-7-8-20-2)14-6-3-11-9-12(18)4-5-13(11)14/h4-5,9,14,18H,3,6-8,10H2,1-2H3,(H,16,19)
InChIKeyVZKRHRQVLYPVQD-UHFFFAOYSA-N
XLogP1.07
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide
CID 107685011
2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-N,N-dimethylacetamide
CID 107684947
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 37058374
N-(2-methoxyethyl)-2-[methyl-(2-oxocyclopentyl)amino]acetamide
CID 62036471
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)-1-methylurea
CID 47236430
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 134043190
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-ethylacetamide
CID 134043159
N-[2-(4-ethoxyphenoxy)ethyl]-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 8681300
1-[methyl(3,3,3-trifluoropropyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107685102
8-[2-methoxyethyl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114091449
1-[methyl(oxan-4-ylmethyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107685082
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2,3-dihydro-1H-inden-5-ol
CID 107685114

Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-(2-methoxyethyl)acetamide (CID 107685007) is 2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)C1CCc2cc(O)ccc21.
What is the InChIKey of 2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is VZKRHRQVLYPVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-17(10-15(19)16-7-8-20-2)14-6-3-11-9-12(18)4-5-13(11)14/h4-5,9,14,18H,3,6-8,10H2,1-2H3,(H,16,19).
What are the key properties of 2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-(2-methoxyethyl)acetamide?
2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 278.35 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 107685007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).