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

C24H27N3O5 — CID 46383962

IUPACethyl 2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc21
InChIInChI=1S/C24H27N3O5/c1-2-32-22(28)16-25-24(30)27-10-9-20-15-19(7-8-21(20)27)17-3-5-18(6-4-17)23(29)26-11-13-31-14-12-26/h3-8,15H,2,9-14,16H2,1H3,(H,25,30)
InChIKeyXYKHNMJJOAZVOP-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.46
Rot. Bonds5

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

ethyl 2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]acetate (PubChem CID 46383962) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is ethyl 2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]acetate
PubChem CID46383962
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Nameethyl 2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc21
InChIInChI=1S/C24H27N3O5/c1-2-32-22(28)16-25-24(30)27-10-9-20-15-19(7-8-21(20)27)17-3-5-18(6-4-17)23(29)26-11-13-31-14-12-26/h3-8,15H,2,9-14,16H2,1H3,(H,25,30)
InChIKeyXYKHNMJJOAZVOP-UHFFFAOYSA-N
XLogP2.46
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2R)-2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]propanoate
CID 92882080
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
1-[6-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 53014611
[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone
CID 46383992
4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 53109916
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
ethyl 2-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]acetate
CID 53090008

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]acetate (CID 46383962) is ethyl 2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc21.
What is the InChIKey of ethyl 2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]acetate?
The InChIKey is XYKHNMJJOAZVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-2-32-22(28)16-25-24(30)27-10-9-20-15-19(7-8-21(20)27)17-3-5-18(6-4-17)23(29)26-11-13-31-14-12-26/h3-8,15H,2,9-14,16H2,1H3,(H,25,30).
What are the key properties of ethyl 2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]acetate?
ethyl 2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]acetate has a molecular weight of 437.50 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]acetate is sourced from PubChem (CID 46383962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).