[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate

C23H27NO4 — CID 7570599

IUPAC[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
SMILESCCc1ccc([C@@H](C)NC(=O)COC(=O)COc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C23H27NO4/c1-3-17-7-9-18(10-8-17)16(2)24-22(25)14-28-23(26)15-27-21-12-11-19-5-4-6-20(19)13-21/h7-13,16H,3-6,14-15H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyYTUYVHOWHDZCMZ-MRXNPFEDSA-N
MW381.47 g/mol
LogP3.54
Rot. Bonds8

About [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate

[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate (PubChem CID 7570599) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate.

Molecular Properties

Compound Name[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
PubChem CID7570599
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
SMILESCCc1ccc([C@@H](C)NC(=O)COC(=O)COc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C23H27NO4/c1-3-17-7-9-18(10-8-17)16(2)24-22(25)14-28-23(26)15-27-21-12-11-19-5-4-6-20(19)13-21/h7-13,16H,3-6,14-15H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyYTUYVHOWHDZCMZ-MRXNPFEDSA-N
XLogP3.54
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate with MolForge

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Related Compounds

[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 8911588
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272330
[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7570677
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7570735
[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 55318318
N-[1-(4-ethylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133160109
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 4673954
2-(3,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17326919
2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 35891231
2-(4-tert-butylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133190699
2-(4-bromophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133190690
2-(4-fluorophenoxy)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 9396086

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The IUPAC name of [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate (CID 7570599) is [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate.
What is the SMILES notation for [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The canonical SMILES for [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate is CCc1ccc([C@@H](C)NC(=O)COC(=O)COc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The InChIKey is YTUYVHOWHDZCMZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H27NO4/c1-3-17-7-9-18(10-8-17)16(2)24-22(25)14-28-23(26)15-27-21-12-11-19-5-4-6-20(19)13-21/h7-13,16H,3-6,14-15H2,1-2H3,(H,24,25)/t16-/m1/s1.
What are the key properties of [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate has a molecular weight of 381.47 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate is sourced from PubChem (CID 7570599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).