ethyl 2-[6-naphthalen-2-yl-5-(propylamino)-2,3-dihydro-1H-inden-1-yl]acetate

C26H29NO2 — CID 68854933

IUPACethyl 2-[6-naphthalen-2-yl-5-(propylamino)-2,3-dihydro-1H-inden-1-yl]acetate
SMILESCCCNc1cc2c(cc1-c1ccc3ccccc3c1)C(CC(=O)OCC)CC2
InChIInChI=1S/C26H29NO2/c1-3-13-27-25-15-21-11-12-22(16-26(28)29-4-2)23(21)17-24(25)20-10-9-18-7-5-6-8-19(18)14-20/h5-10,14-15,17,22,27H,3-4,11-13,16H2,1-2H3
InChIKeyKBIYECXPVVBBPA-UHFFFAOYSA-N
MW387.52 g/mol
LogP6.31
Rot. Bonds7

About ethyl 2-[6-naphthalen-2-yl-5-(propylamino)-2,3-dihydro-1H-inden-1-yl]acetate

ethyl 2-[6-naphthalen-2-yl-5-(propylamino)-2,3-dihydro-1H-inden-1-yl]acetate (PubChem CID 68854933) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is ethyl 2-[6-naphthalen-2-yl-5-(propylamino)-2,3-dihydro-1H-inden-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-naphthalen-2-yl-5-(propylamino)-2,3-dihydro-1H-inden-1-yl]acetate
PubChem CID68854933
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Nameethyl 2-[6-naphthalen-2-yl-5-(propylamino)-2,3-dihydro-1H-inden-1-yl]acetate
SMILESCCCNc1cc2c(cc1-c1ccc3ccccc3c1)C(CC(=O)OCC)CC2
InChIInChI=1S/C26H29NO2/c1-3-13-27-25-15-21-11-12-22(16-26(28)29-4-2)23(21)17-24(25)20-10-9-18-7-5-6-8-19(18)14-20/h5-10,14-15,17,22,27H,3-4,11-13,16H2,1-2H3
InChIKeyKBIYECXPVVBBPA-UHFFFAOYSA-N
XLogP6.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-naphthalen-2-yl-5-(propylamino)-2,3-dihydro-1H-inden-1-yl]acetate?
The IUPAC name of ethyl 2-[6-naphthalen-2-yl-5-(propylamino)-2,3-dihydro-1H-inden-1-yl]acetate (CID 68854933) is ethyl 2-[6-naphthalen-2-yl-5-(propylamino)-2,3-dihydro-1H-inden-1-yl]acetate.
What is the SMILES notation for ethyl 2-[6-naphthalen-2-yl-5-(propylamino)-2,3-dihydro-1H-inden-1-yl]acetate?
The canonical SMILES for ethyl 2-[6-naphthalen-2-yl-5-(propylamino)-2,3-dihydro-1H-inden-1-yl]acetate is CCCNc1cc2c(cc1-c1ccc3ccccc3c1)C(CC(=O)OCC)CC2.
What is the InChIKey of ethyl 2-[6-naphthalen-2-yl-5-(propylamino)-2,3-dihydro-1H-inden-1-yl]acetate?
The InChIKey is KBIYECXPVVBBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2/c1-3-13-27-25-15-21-11-12-22(16-26(28)29-4-2)23(21)17-24(25)20-10-9-18-7-5-6-8-19(18)14-20/h5-10,14-15,17,22,27H,3-4,11-13,16H2,1-2H3.
What are the key properties of ethyl 2-[6-naphthalen-2-yl-5-(propylamino)-2,3-dihydro-1H-inden-1-yl]acetate?
ethyl 2-[6-naphthalen-2-yl-5-(propylamino)-2,3-dihydro-1H-inden-1-yl]acetate has a molecular weight of 387.52 g/mol, XLogP of 6.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-naphthalen-2-yl-5-(propylamino)-2,3-dihydro-1H-inden-1-yl]acetate is sourced from PubChem (CID 68854933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).