ethyl (2R)-2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]propanoate

C25H29N3O5 — CID 92882080

IUPACethyl (2R)-2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]propanoate
SMILESCCOC(=O)[C@@H](C)NC(=O)N1CCc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc21
InChIInChI=1S/C25H29N3O5/c1-3-33-24(30)17(2)26-25(31)28-11-10-21-16-20(8-9-22(21)28)18-4-6-19(7-5-18)23(29)27-12-14-32-15-13-27/h4-9,16-17H,3,10-15H2,1-2H3,(H,26,31)/t17-/m1/s1
InChIKeyIIZBXOLVVKISIQ-QGZVFWFLSA-N
MW451.52 g/mol
LogP2.85
Rot. Bonds5

About ethyl (2R)-2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]propanoate

ethyl (2R)-2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]propanoate (PubChem CID 92882080) has the molecular formula C25H29N3O5 and a molecular weight of 451.52 g/mol. Its IUPAC name is ethyl (2R)-2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]propanoate
PubChem CID92882080
Molecular FormulaC25H29N3O5
Molecular Weight451.52 g/mol
Exact Mass451.21
IUPAC Nameethyl (2R)-2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]propanoate
SMILESCCOC(=O)[C@@H](C)NC(=O)N1CCc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc21
InChIInChI=1S/C25H29N3O5/c1-3-33-24(30)17(2)26-25(31)28-11-10-21-16-20(8-9-22(21)28)18-4-6-19(7-5-18)23(29)27-12-14-32-15-13-27/h4-9,16-17H,3,10-15H2,1-2H3,(H,26,31)/t17-/m1/s1
InChIKeyIIZBXOLVVKISIQ-QGZVFWFLSA-N
XLogP2.85
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]acetate
CID 46383962
ethyl 4-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]benzoate
CID 46383956
N-(2-methylpropyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 46383985
N-(3-methylbutyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 46383982
2-methyl-1-[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindol-1-yl]propan-1-one
CID 53109904
N-(2,5-dimethoxyphenyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 46259620
[4-[1-(4-ethylphenyl)sulfonyl-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone
CID 46383999
4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 53109916
[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone
CID 46383992
1-[5-[4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 53109902
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
1-[6-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 53014611

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]propanoate?
The IUPAC name of ethyl (2R)-2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]propanoate (CID 92882080) is ethyl (2R)-2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]propanoate.
What is the SMILES notation for ethyl (2R)-2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]propanoate?
The canonical SMILES for ethyl (2R)-2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]propanoate is CCOC(=O)[C@@H](C)NC(=O)N1CCc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc21.
What is the InChIKey of ethyl (2R)-2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]propanoate?
The InChIKey is IIZBXOLVVKISIQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H29N3O5/c1-3-33-24(30)17(2)26-25(31)28-11-10-21-16-20(8-9-22(21)28)18-4-6-19(7-5-18)23(29)27-12-14-32-15-13-27/h4-9,16-17H,3,10-15H2,1-2H3,(H,26,31)/t17-/m1/s1.
What are the key properties of ethyl (2R)-2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]propanoate?
ethyl (2R)-2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]propanoate has a molecular weight of 451.52 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]propanoate is sourced from PubChem (CID 92882080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).