N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(2-phenylethyl)morpholine-4-carboxamide

C23H27N3O3 — CID 139002732

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(2-phenylethyl)morpholine-4-carboxamide
SMILESO=C(NCC(=O)N1CCc2ccccc21)N1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C23H27N3O3/c27-22(26-13-12-19-8-4-5-9-21(19)26)16-24-23(28)25-14-15-29-20(17-25)11-10-18-6-2-1-3-7-18/h1-9,20H,10-17H2,(H,24,28)
InChIKeyHFOSHWGWNYSLMZ-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.62
Rot. Bonds5

About N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(2-phenylethyl)morpholine-4-carboxamide

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(2-phenylethyl)morpholine-4-carboxamide (PubChem CID 139002732) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(2-phenylethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(2-phenylethyl)morpholine-4-carboxamide
PubChem CID139002732
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(2-phenylethyl)morpholine-4-carboxamide
SMILESO=C(NCC(=O)N1CCc2ccccc21)N1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C23H27N3O3/c27-22(26-13-12-19-8-4-5-9-21(19)26)16-24-23(28)25-14-15-29-20(17-25)11-10-18-6-2-1-3-7-18/h1-9,20H,10-17H2,(H,24,28)
InChIKeyHFOSHWGWNYSLMZ-UHFFFAOYSA-N
XLogP2.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 95968357
N-(oxan-4-yl)-2-(2-phenylethyl)morpholine-4-carboxamide
CID 126776750
N,N-dimethyl-2-(2-phenylethyl)morpholine-4-carboxamide
CID 75521628
2-[2-oxo-2-[2-(2-phenylethyl)morpholin-4-yl]ethyl]benzoic acid
CID 120550218
3-benzyl-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111725301
(2S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide
CID 97353311
N-[(2-methylpyrimidin-4-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide
CID 75477456
oxan-4-yl-[(2R)-2-(2-phenylethyl)morpholin-4-yl]methanone
CID 25457524
(2-methylfuran-3-yl)-[2-(2-phenylethyl)morpholin-4-yl]methanone
CID 75504750
N-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]phenyl]formamide
CID 86790082
5-[2-(2-phenylethyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 110740938
N-benzyl-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108508973

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(2-phenylethyl)morpholine-4-carboxamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(2-phenylethyl)morpholine-4-carboxamide (CID 139002732) is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(2-phenylethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(2-phenylethyl)morpholine-4-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(2-phenylethyl)morpholine-4-carboxamide is O=C(NCC(=O)N1CCc2ccccc21)N1CCOC(CCc2ccccc2)C1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(2-phenylethyl)morpholine-4-carboxamide?
The InChIKey is HFOSHWGWNYSLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-22(26-13-12-19-8-4-5-9-21(19)26)16-24-23(28)25-14-15-29-20(17-25)11-10-18-6-2-1-3-7-18/h1-9,20H,10-17H2,(H,24,28).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(2-phenylethyl)morpholine-4-carboxamide?
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(2-phenylethyl)morpholine-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(2-phenylethyl)morpholine-4-carboxamide is sourced from PubChem (CID 139002732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).