ethyl 5-[1-(dimethylamino)propan-2-yloxy]-1-(2-methoxyphenyl)-2-methylindole-3-carboxylate

C24H30N2O4 — CID 23742025

IUPACethyl 5-[1-(dimethylamino)propan-2-yloxy]-1-(2-methoxyphenyl)-2-methylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(-c2ccccc2OC)c2ccc(OC(C)CN(C)C)cc12
InChIInChI=1S/C24H30N2O4/c1-7-29-24(27)23-17(3)26(21-10-8-9-11-22(21)28-6)20-13-12-18(14-19(20)23)30-16(2)15-25(4)5/h8-14,16H,7,15H2,1-6H3
InChIKeyTWEDKAJTMKDMFD-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.45
Rot. Bonds8

About ethyl 5-[1-(dimethylamino)propan-2-yloxy]-1-(2-methoxyphenyl)-2-methylindole-3-carboxylate

ethyl 5-[1-(dimethylamino)propan-2-yloxy]-1-(2-methoxyphenyl)-2-methylindole-3-carboxylate (PubChem CID 23742025) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is ethyl 5-[1-(dimethylamino)propan-2-yloxy]-1-(2-methoxyphenyl)-2-methylindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[1-(dimethylamino)propan-2-yloxy]-1-(2-methoxyphenyl)-2-methylindole-3-carboxylate
PubChem CID23742025
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Nameethyl 5-[1-(dimethylamino)propan-2-yloxy]-1-(2-methoxyphenyl)-2-methylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(-c2ccccc2OC)c2ccc(OC(C)CN(C)C)cc12
InChIInChI=1S/C24H30N2O4/c1-7-29-24(27)23-17(3)26(21-10-8-9-11-22(21)28-6)20-13-12-18(14-19(20)23)30-16(2)15-25(4)5/h8-14,16H,7,15H2,1-6H3
InChIKeyTWEDKAJTMKDMFD-UHFFFAOYSA-N
XLogP4.45
TPSA52.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[1-(dimethylamino)propan-2-yloxy]-1-(2-methoxyphenyl)-2-methylindole-3-carboxylate?
The IUPAC name of ethyl 5-[1-(dimethylamino)propan-2-yloxy]-1-(2-methoxyphenyl)-2-methylindole-3-carboxylate (CID 23742025) is ethyl 5-[1-(dimethylamino)propan-2-yloxy]-1-(2-methoxyphenyl)-2-methylindole-3-carboxylate.
What is the SMILES notation for ethyl 5-[1-(dimethylamino)propan-2-yloxy]-1-(2-methoxyphenyl)-2-methylindole-3-carboxylate?
The canonical SMILES for ethyl 5-[1-(dimethylamino)propan-2-yloxy]-1-(2-methoxyphenyl)-2-methylindole-3-carboxylate is CCOC(=O)c1c(C)n(-c2ccccc2OC)c2ccc(OC(C)CN(C)C)cc12.
What is the InChIKey of ethyl 5-[1-(dimethylamino)propan-2-yloxy]-1-(2-methoxyphenyl)-2-methylindole-3-carboxylate?
The InChIKey is TWEDKAJTMKDMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-7-29-24(27)23-17(3)26(21-10-8-9-11-22(21)28-6)20-13-12-18(14-19(20)23)30-16(2)15-25(4)5/h8-14,16H,7,15H2,1-6H3.
What are the key properties of ethyl 5-[1-(dimethylamino)propan-2-yloxy]-1-(2-methoxyphenyl)-2-methylindole-3-carboxylate?
ethyl 5-[1-(dimethylamino)propan-2-yloxy]-1-(2-methoxyphenyl)-2-methylindole-3-carboxylate has a molecular weight of 410.51 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[1-(dimethylamino)propan-2-yloxy]-1-(2-methoxyphenyl)-2-methylindole-3-carboxylate is sourced from PubChem (CID 23742025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).