[(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone

C24H25N3O4 — CID 110198137

IUPAC[(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)c1cc2ccccc2[nH]1)N1CCOCC1
InChIInChI=1S/C24H25N3O4/c28-23(21-14-17-6-4-5-9-20(17)25-21)27-16-19(31-18-7-2-1-3-8-18)15-22(27)24(29)26-10-12-30-13-11-26/h1-9,14,19,22,25H,10-13,15-16H2/t19-,22-/m0/s1
InChIKeyNYLZNFZYLGQBCA-UGKGYDQZSA-N
MW419.48 g/mol
LogP2.69
Rot. Bonds4

About [(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 110198137) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is [(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID110198137
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name[(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)c1cc2ccccc2[nH]1)N1CCOCC1
InChIInChI=1S/C24H25N3O4/c28-23(21-14-17-6-4-5-9-20(17)25-21)27-16-19(31-18-7-2-1-3-8-18)15-22(27)24(29)26-10-12-30-13-11-26/h1-9,14,19,22,25H,10-13,15-16H2/t19-,22-/m0/s1
InChIKeyNYLZNFZYLGQBCA-UGKGYDQZSA-N
XLogP2.69
TPSA74.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 110198137) is [(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone is O=C([C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)c1cc2ccccc2[nH]1)N1CCOCC1.
What is the InChIKey of [(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is NYLZNFZYLGQBCA-UGKGYDQZSA-N. The full InChI is InChI=1S/C24H25N3O4/c28-23(21-14-17-6-4-5-9-20(17)25-21)27-16-19(31-18-7-2-1-3-8-18)15-22(27)24(29)26-10-12-30-13-11-26/h1-9,14,19,22,25H,10-13,15-16H2/t19-,22-/m0/s1.
What are the key properties of [(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 419.48 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110198137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).