2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide

C17H23NO2 — CID 115700114

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
SMILESC=C(C)COCCNC(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C17H23NO2/c1-13(2)12-20-9-8-18-17(19)11-14-6-7-15-4-3-5-16(15)10-14/h6-7,10H,1,3-5,8-9,11-12H2,2H3,(H,18,19)
InChIKeyHHEKDMGMJIYAOJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.43
Rot. Bonds7

About 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide

2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide (PubChem CID 115700114) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
PubChem CID115700114
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
SMILESC=C(C)COCCNC(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C17H23NO2/c1-13(2)12-20-9-8-18-17(19)11-14-6-7-15-4-3-5-16(15)10-14/h6-7,10H,1,3-5,8-9,11-12H2,2H3,(H,18,19)
InChIKeyHHEKDMGMJIYAOJ-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]ethoxy]acetic acid
CID 79469532
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-N-(2-methoxyethyl)acetamide
CID 112695615
N-[2-(ethylamino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride
CID 119508424
ethyl 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanoate
CID 60645837
2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]ethoxy]acetic acid
CID 79468877
2-(2,3-dihydro-1H-inden-5-yl)-N-prop-2-enylacetamide
CID 60645760
2-(2,4-dichlorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699674
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732
2-(4-chlorophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101563
[2-(2-methoxyethylamino)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7706555
2-[4-[2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 119255955
2-(4-bromophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101586

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide (CID 115700114) is 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide is C=C(C)COCCNC(=O)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide?
The InChIKey is HHEKDMGMJIYAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-13(2)12-20-9-8-18-17(19)11-14-6-7-15-4-3-5-16(15)10-14/h6-7,10H,1,3-5,8-9,11-12H2,2H3,(H,18,19).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide?
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide has a molecular weight of 273.38 g/mol, XLogP of 2.43, 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-5-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide is sourced from PubChem (CID 115700114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).