ethyl 2-(1-acetamido-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoate

C17H23NO3 — CID 132579997

IUPACethyl 2-(1-acetamido-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)C1Cc2ccccc2C1NC(C)=O
InChIInChI=1S/C17H23NO3/c1-5-21-16(20)17(3,4)14-10-12-8-6-7-9-13(12)15(14)18-11(2)19/h6-9,14-15H,5,10H2,1-4H3,(H,18,19)
InChIKeyAHTYPVUMFBDOIM-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.63
Rot. Bonds4

About ethyl 2-(1-acetamido-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoate

ethyl 2-(1-acetamido-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoate (PubChem CID 132579997) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is ethyl 2-(1-acetamido-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(1-acetamido-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoate
PubChem CID132579997
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Nameethyl 2-(1-acetamido-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)C1Cc2ccccc2C1NC(C)=O
InChIInChI=1S/C17H23NO3/c1-5-21-16(20)17(3,4)14-10-12-8-6-7-9-13(12)15(14)18-11(2)19/h6-9,14-15H,5,10H2,1-4H3,(H,18,19)
InChIKeyAHTYPVUMFBDOIM-UHFFFAOYSA-N
XLogP2.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139750983
ethyl 4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoate
CID 61367406
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide
CID 2753031
(1-acetamido-2,3-dihydro-1H-inden-2-yl) methanesulfonate
CID 87314664
N-[2-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 147490367
N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
CID 130969150
ethyl (1R,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate
CID 102322788
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
diethyl 2-(2-amino-2,3-dihydro-1H-inden-1-yl)-2-(2-methoxyethyl)propanedioate
CID 76594925
tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 163763965
tert-butyl N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142301737
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-ethoxycarbonylbutanoic acid
CID 103974385

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-acetamido-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoate?
The IUPAC name of ethyl 2-(1-acetamido-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoate (CID 132579997) is ethyl 2-(1-acetamido-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(1-acetamido-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(1-acetamido-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoate is CCOC(=O)C(C)(C)C1Cc2ccccc2C1NC(C)=O.
What is the InChIKey of ethyl 2-(1-acetamido-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoate?
The InChIKey is AHTYPVUMFBDOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-5-21-16(20)17(3,4)14-10-12-8-6-7-9-13(12)15(14)18-11(2)19/h6-9,14-15H,5,10H2,1-4H3,(H,18,19).
What are the key properties of ethyl 2-(1-acetamido-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoate?
ethyl 2-(1-acetamido-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoate has a molecular weight of 289.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-acetamido-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoate is sourced from PubChem (CID 132579997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).