ethyl 6-methoxy-3-(N-propanoylanilino)-1H-indene-2-carboxylate

C22H23NO4 — CID 90746554

IUPACethyl 6-methoxy-3-(N-propanoylanilino)-1H-indene-2-carboxylate
SMILESCCOC(=O)C1=C(N(C(=O)CC)c2ccccc2)c2ccc(OC)cc2C1
InChIInChI=1S/C22H23NO4/c1-4-20(24)23(16-9-7-6-8-10-16)21-18-12-11-17(26-3)13-15(18)14-19(21)22(25)27-5-2/h6-13H,4-5,14H2,1-3H3
InChIKeyKDZZPCPUOAWNAL-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.97
Rot. Bonds6

About ethyl 6-methoxy-3-(N-propanoylanilino)-1H-indene-2-carboxylate

ethyl 6-methoxy-3-(N-propanoylanilino)-1H-indene-2-carboxylate (PubChem CID 90746554) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is ethyl 6-methoxy-3-(N-propanoylanilino)-1H-indene-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-methoxy-3-(N-propanoylanilino)-1H-indene-2-carboxylate
PubChem CID90746554
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Nameethyl 6-methoxy-3-(N-propanoylanilino)-1H-indene-2-carboxylate
SMILESCCOC(=O)C1=C(N(C(=O)CC)c2ccccc2)c2ccc(OC)cc2C1
InChIInChI=1S/C22H23NO4/c1-4-20(24)23(16-9-7-6-8-10-16)21-18-12-11-17(26-3)13-15(18)14-19(21)22(25)27-5-2/h6-13H,4-5,14H2,1-3H3
InChIKeyKDZZPCPUOAWNAL-UHFFFAOYSA-N
XLogP3.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methoxy-3-(N-propanoylanilino)-1H-indene-2-carboxylate?
The IUPAC name of ethyl 6-methoxy-3-(N-propanoylanilino)-1H-indene-2-carboxylate (CID 90746554) is ethyl 6-methoxy-3-(N-propanoylanilino)-1H-indene-2-carboxylate.
What is the SMILES notation for ethyl 6-methoxy-3-(N-propanoylanilino)-1H-indene-2-carboxylate?
The canonical SMILES for ethyl 6-methoxy-3-(N-propanoylanilino)-1H-indene-2-carboxylate is CCOC(=O)C1=C(N(C(=O)CC)c2ccccc2)c2ccc(OC)cc2C1.
What is the InChIKey of ethyl 6-methoxy-3-(N-propanoylanilino)-1H-indene-2-carboxylate?
The InChIKey is KDZZPCPUOAWNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-4-20(24)23(16-9-7-6-8-10-16)21-18-12-11-17(26-3)13-15(18)14-19(21)22(25)27-5-2/h6-13H,4-5,14H2,1-3H3.
What are the key properties of ethyl 6-methoxy-3-(N-propanoylanilino)-1H-indene-2-carboxylate?
ethyl 6-methoxy-3-(N-propanoylanilino)-1H-indene-2-carboxylate has a molecular weight of 365.43 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methoxy-3-(N-propanoylanilino)-1H-indene-2-carboxylate is sourced from PubChem (CID 90746554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).