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

C23H27NO4 — CID 7570677

IUPAC[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
SMILESCC[C@@H](NC(=O)COC(=O)COc1ccc2c(c1)CCC2)c1ccc(C)cc1
InChIInChI=1S/C23H27NO4/c1-3-21(18-9-7-16(2)8-10-18)24-22(25)14-28-23(26)15-27-20-12-11-17-5-4-6-19(17)13-20/h7-13,21H,3-6,14-15H2,1-2H3,(H,24,25)/t21-/m1/s1
InChIKeyKGNOLTOXDIJJPM-OAQYLSRUSA-N
MW381.47 g/mol
LogP3.67
Rot. Bonds8

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

[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate (PubChem CID 7570677) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is [2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate.

Molecular Properties

Compound Name[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
PubChem CID7570677
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
SMILESCC[C@@H](NC(=O)COC(=O)COc1ccc2c(c1)CCC2)c1ccc(C)cc1
InChIInChI=1S/C23H27NO4/c1-3-21(18-9-7-16(2)8-10-18)24-22(25)14-28-23(26)15-27-20-12-11-17-5-4-6-19(17)13-20/h7-13,21H,3-6,14-15H2,1-2H3,(H,24,25)/t21-/m1/s1
InChIKeyKGNOLTOXDIJJPM-OAQYLSRUSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791342
[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7715119
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7570599
[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9140880
N-[1-(2,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 133251756
[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814195
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 4673954
2-(4-bromophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191464
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7570735
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7578935
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8910299
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 7794652

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The IUPAC name of [2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate (CID 7570677) is [2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate.
What is the SMILES notation for [2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The canonical SMILES for [2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate is CC[C@@H](NC(=O)COC(=O)COc1ccc2c(c1)CCC2)c1ccc(C)cc1.
What is the InChIKey of [2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The InChIKey is KGNOLTOXDIJJPM-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H27NO4/c1-3-21(18-9-7-16(2)8-10-18)24-22(25)14-28-23(26)15-27-20-12-11-17-5-4-6-19(17)13-20/h7-13,21H,3-6,14-15H2,1-2H3,(H,24,25)/t21-/m1/s1.
What are the key properties of [2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate has a molecular weight of 381.47 g/mol, XLogP of 3.67, 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-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate is sourced from PubChem (CID 7570677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).