2-morpholin-4-ylethyl 6-phenylmethoxy-4-propan-2-yloxy-1H-indole-2-carboxylate

C25H30N2O5 — CID 156634339

IUPAC2-morpholin-4-ylethyl 6-phenylmethoxy-4-propan-2-yloxy-1H-indole-2-carboxylate
SMILESCC(C)Oc1cc(OCc2ccccc2)cc2[nH]c(C(=O)OCCN3CCOCC3)cc12
InChIInChI=1S/C25H30N2O5/c1-18(2)32-24-15-20(31-17-19-6-4-3-5-7-19)14-22-21(24)16-23(26-22)25(28)30-13-10-27-8-11-29-12-9-27/h3-7,14-16,18,26H,8-13,17H2,1-2H3
InChIKeyWPYSEDHTPIJECJ-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.02
Rot. Bonds9

About 2-morpholin-4-ylethyl 6-phenylmethoxy-4-propan-2-yloxy-1H-indole-2-carboxylate

2-morpholin-4-ylethyl 6-phenylmethoxy-4-propan-2-yloxy-1H-indole-2-carboxylate (PubChem CID 156634339) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 6-phenylmethoxy-4-propan-2-yloxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 6-phenylmethoxy-4-propan-2-yloxy-1H-indole-2-carboxylate
PubChem CID156634339
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Name2-morpholin-4-ylethyl 6-phenylmethoxy-4-propan-2-yloxy-1H-indole-2-carboxylate
SMILESCC(C)Oc1cc(OCc2ccccc2)cc2[nH]c(C(=O)OCCN3CCOCC3)cc12
InChIInChI=1S/C25H30N2O5/c1-18(2)32-24-15-20(31-17-19-6-4-3-5-7-19)14-22-21(24)16-23(26-22)25(28)30-13-10-27-8-11-29-12-9-27/h3-7,14-16,18,26H,8-13,17H2,1-2H3
InChIKeyWPYSEDHTPIJECJ-UHFFFAOYSA-N
XLogP4.02
TPSA73.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 6-phenylmethoxy-4-propan-2-yloxy-1H-indole-2-carboxylate?
The IUPAC name of 2-morpholin-4-ylethyl 6-phenylmethoxy-4-propan-2-yloxy-1H-indole-2-carboxylate (CID 156634339) is 2-morpholin-4-ylethyl 6-phenylmethoxy-4-propan-2-yloxy-1H-indole-2-carboxylate.
What is the SMILES notation for 2-morpholin-4-ylethyl 6-phenylmethoxy-4-propan-2-yloxy-1H-indole-2-carboxylate?
The canonical SMILES for 2-morpholin-4-ylethyl 6-phenylmethoxy-4-propan-2-yloxy-1H-indole-2-carboxylate is CC(C)Oc1cc(OCc2ccccc2)cc2[nH]c(C(=O)OCCN3CCOCC3)cc12.
What is the InChIKey of 2-morpholin-4-ylethyl 6-phenylmethoxy-4-propan-2-yloxy-1H-indole-2-carboxylate?
The InChIKey is WPYSEDHTPIJECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-18(2)32-24-15-20(31-17-19-6-4-3-5-7-19)14-22-21(24)16-23(26-22)25(28)30-13-10-27-8-11-29-12-9-27/h3-7,14-16,18,26H,8-13,17H2,1-2H3.
What are the key properties of 2-morpholin-4-ylethyl 6-phenylmethoxy-4-propan-2-yloxy-1H-indole-2-carboxylate?
2-morpholin-4-ylethyl 6-phenylmethoxy-4-propan-2-yloxy-1H-indole-2-carboxylate has a molecular weight of 438.52 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 6-phenylmethoxy-4-propan-2-yloxy-1H-indole-2-carboxylate is sourced from PubChem (CID 156634339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).