[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate

C21H23NO4 — CID 7871018

IUPAC[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)OCC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C21H23NO4/c1-25-19-8-3-2-5-16(19)10-12-21(24)26-14-20(23)22-18-11-9-15-6-4-7-17(15)13-18/h2-3,5,8-9,11,13H,4,6-7,10,12,14H2,1H3,(H,22,23)
InChIKeyAHVMGHBAJCDHDV-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.30
Rot. Bonds7

About [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate

[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate (PubChem CID 7871018) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
PubChem CID7871018
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)OCC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C21H23NO4/c1-25-19-8-3-2-5-16(19)10-12-21(24)26-14-20(23)22-18-11-9-15-6-4-7-17(15)13-18/h2-3,5,8-9,11,13H,4,6-7,10,12,14H2,1H3,(H,22,23)
InChIKeyAHVMGHBAJCDHDV-UHFFFAOYSA-N
XLogP3.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-bromoanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871124
[2-(3-methylsulfonylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8955982
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8731140
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871120
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523454
[2-(2-chloroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871123
[2-(2,4-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871146
N-[2-[(2-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide
CID 42558013
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate
CID 7753439
3-(2-methoxyphenyl)-N-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide
CID 26409001
methyl 2-[[2-[3-(2-methoxyphenyl)propanoyloxy]acetyl]amino]benzoate
CID 7871156
N-(2,3-dihydro-1H-inden-5-yl)-2-(2-hydroxyphenoxy)acetamide
CID 78780058

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The IUPAC name of [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate (CID 7871018) is [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate.
What is the SMILES notation for [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The canonical SMILES for [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate is COc1ccccc1CCC(=O)OCC(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The InChIKey is AHVMGHBAJCDHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-25-19-8-3-2-5-16(19)10-12-21(24)26-14-20(23)22-18-11-9-15-6-4-7-17(15)13-18/h2-3,5,8-9,11,13H,4,6-7,10,12,14H2,1H3,(H,22,23).
What are the key properties of [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate has a molecular weight of 353.42 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 7871018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).