[2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoyl]-1-phenylindol-3-yl] 2,2-dimethylpropanoate

C27H33N3O4 — CID 21270105

IUPAC[2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoyl]-1-phenylindol-3-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)Oc1c(C(=O)NCC(O)CN2CCCC2)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C27H33N3O4/c1-27(2,3)26(33)34-24-21-13-7-8-14-22(21)30(19-11-5-4-6-12-19)23(24)25(32)28-17-20(31)18-29-15-9-10-16-29/h4-8,11-14,20,31H,9-10,15-18H2,1-3H3,(H,28,32)
InChIKeyCNDBHBPPNLMANZ-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.77
Rot. Bonds7

About [2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoyl]-1-phenylindol-3-yl] 2,2-dimethylpropanoate

[2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoyl]-1-phenylindol-3-yl] 2,2-dimethylpropanoate (PubChem CID 21270105) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is [2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoyl]-1-phenylindol-3-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoyl]-1-phenylindol-3-yl] 2,2-dimethylpropanoate
PubChem CID21270105
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC Name[2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoyl]-1-phenylindol-3-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)Oc1c(C(=O)NCC(O)CN2CCCC2)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C27H33N3O4/c1-27(2,3)26(33)34-24-21-13-7-8-14-22(21)30(19-11-5-4-6-12-19)23(24)25(32)28-17-20(31)18-29-15-9-10-16-29/h4-8,11-14,20,31H,9-10,15-18H2,1-3H3,(H,28,32)
InChIKeyCNDBHBPPNLMANZ-UHFFFAOYSA-N
XLogP3.77
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoyl]-1-phenylindol-3-yl] 2,2-dimethylpropanoate?
The IUPAC name of [2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoyl]-1-phenylindol-3-yl] 2,2-dimethylpropanoate (CID 21270105) is [2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoyl]-1-phenylindol-3-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoyl]-1-phenylindol-3-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoyl]-1-phenylindol-3-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)Oc1c(C(=O)NCC(O)CN2CCCC2)n(-c2ccccc2)c2ccccc12.
What is the InChIKey of [2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoyl]-1-phenylindol-3-yl] 2,2-dimethylpropanoate?
The InChIKey is CNDBHBPPNLMANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-27(2,3)26(33)34-24-21-13-7-8-14-22(21)30(19-11-5-4-6-12-19)23(24)25(32)28-17-20(31)18-29-15-9-10-16-29/h4-8,11-14,20,31H,9-10,15-18H2,1-3H3,(H,28,32).
What are the key properties of [2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoyl]-1-phenylindol-3-yl] 2,2-dimethylpropanoate?
[2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoyl]-1-phenylindol-3-yl] 2,2-dimethylpropanoate has a molecular weight of 463.58 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoyl]-1-phenylindol-3-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 21270105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).