2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(3-methoxypropyl)acetamide

C16H24N2O2 — CID 37058374

IUPAC2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C)[C@@H]1CCc2ccccc21
InChIInChI=1S/C16H24N2O2/c1-18(12-16(19)17-10-5-11-20-2)15-9-8-13-6-3-4-7-14(13)15/h3-4,6-7,15H,5,8-12H2,1-2H3,(H,17,19)/t15-/m1/s1
InChIKeyQETGXWXLGUOWJW-OAHLLOKOSA-N
MW276.38 g/mol
LogP1.76
Rot. Bonds7

About 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(3-methoxypropyl)acetamide

2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(3-methoxypropyl)acetamide (PubChem CID 37058374) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(3-methoxypropyl)acetamide
PubChem CID37058374
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C)[C@@H]1CCc2ccccc21
InChIInChI=1S/C16H24N2O2/c1-18(12-16(19)17-10-5-11-20-2)15-9-8-13-6-3-4-7-14(13)15/h3-4,6-7,15H,5,8-12H2,1-2H3,(H,17,19)/t15-/m1/s1
InChIKeyQETGXWXLGUOWJW-OAHLLOKOSA-N
XLogP1.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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-[2-(2-methoxyphenyl)ethyl]acetamide
CID 134043190
N-[2-(4-ethoxyphenoxy)ethyl]-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 8681300
2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 107685007
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 134043050
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-(3-methylbutan-2-yl)acetamide
CID 134052147
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(methylcarbamoyl)acetamide
CID 47147183
2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-prop-2-ynylacetamide
CID 8681009
N-ethyl-2-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]acetamide
CID 8681103
methyl 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]pentanoate
CID 100664309
2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 51260991

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(3-methoxypropyl)acetamide (CID 37058374) is 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN(C)[C@@H]1CCc2ccccc21.
What is the InChIKey of 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(3-methoxypropyl)acetamide?
The InChIKey is QETGXWXLGUOWJW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18(12-16(19)17-10-5-11-20-2)15-9-8-13-6-3-4-7-14(13)15/h3-4,6-7,15H,5,8-12H2,1-2H3,(H,17,19)/t15-/m1/s1.
What are the key properties of 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(3-methoxypropyl)acetamide?
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(3-methoxypropyl)acetamide has a molecular weight of 276.38 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 37058374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).