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

C25H23NO3 — CID 7749895

IUPAC[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2,2-diphenylacetate
SMILESO=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C25H23NO3/c27-23(26-22-15-14-18-12-7-13-21(18)16-22)17-29-25(28)24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,14-16,24H,7,12-13,17H2,(H,26,27)
InChIKeyLLVJQLSJVXRJKB-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.49
Rot. Bonds6

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

[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2,2-diphenylacetate (PubChem CID 7749895) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2,2-diphenylacetate
PubChem CID7749895
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2,2-diphenylacetate
SMILESO=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C25H23NO3/c27-23(26-22-15-14-18-12-7-13-21(18)16-22)17-29-25(28)24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,14-16,24H,7,12-13,17H2,(H,26,27)
InChIKeyLLVJQLSJVXRJKB-UHFFFAOYSA-N
XLogP4.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] (2S)-2-(carbamoylamino)-3-phenylpropanoate
CID 8937845
[2-(4-acetamidoanilino)-2-oxoethyl] 2,2-diphenylacetate
CID 8578956
2-(benzhydrylamino)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 7516034
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523454
2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethoxy]acetic acid
CID 650247
N-(2,3-dihydro-1H-inden-5-yl)-2-(2-hydroxyphenoxy)acetamide
CID 78780058
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] (E)-but-2-enoate
CID 7981079
N-(2,3-dihydro-1H-inden-5-yl)-3,3-bis(phenylsulfanyl)propanamide
CID 123563159
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-methylbenzoate
CID 2640652
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8865297
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate
CID 7991402
(2S)-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylacetamide
CID 40569777

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2,2-diphenylacetate?
The IUPAC name of [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2,2-diphenylacetate (CID 7749895) is [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2,2-diphenylacetate.
What is the SMILES notation for [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2,2-diphenylacetate?
The canonical SMILES for [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2,2-diphenylacetate is O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2,2-diphenylacetate?
The InChIKey is LLVJQLSJVXRJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c27-23(26-22-15-14-18-12-7-13-21(18)16-22)17-29-25(28)24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,14-16,24H,7,12-13,17H2,(H,26,27).
What are the key properties of [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2,2-diphenylacetate?
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2,2-diphenylacetate has a molecular weight of 385.46 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2,2-diphenylacetate is sourced from PubChem (CID 7749895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).