2-morpholin-4-yl-2-oxo-N-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]acetamide

C17H21N3O4 — CID 98210292

IUPAC2-morpholin-4-yl-2-oxo-N-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]acetamide
SMILESCC(C)N1C(=O)[C@@H](NC(=O)C(=O)N2CCOCC2)c2ccccc21
InChIInChI=1S/C17H21N3O4/c1-11(2)20-13-6-4-3-5-12(13)14(16(20)22)18-15(21)17(23)19-7-9-24-10-8-19/h3-6,11,14H,7-10H2,1-2H3,(H,18,21)/t14-/m0/s1
InChIKeyJGFHMPDKQIXZBN-AWEZNQCLSA-N
MW331.37 g/mol
LogP0.46
Rot. Bonds2

About 2-morpholin-4-yl-2-oxo-N-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]acetamide

2-morpholin-4-yl-2-oxo-N-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]acetamide (PubChem CID 98210292) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-morpholin-4-yl-2-oxo-N-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-2-oxo-N-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]acetamide
PubChem CID98210292
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-morpholin-4-yl-2-oxo-N-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]acetamide
SMILESCC(C)N1C(=O)[C@@H](NC(=O)C(=O)N2CCOCC2)c2ccccc21
InChIInChI=1S/C17H21N3O4/c1-11(2)20-13-6-4-3-5-12(13)14(16(20)22)18-15(21)17(23)19-7-9-24-10-8-19/h3-6,11,14H,7-10H2,1-2H3,(H,18,21)/t14-/m0/s1
InChIKeyJGFHMPDKQIXZBN-AWEZNQCLSA-N
XLogP0.46
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(diethylamino)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide
CID 40961537
N-[(2-fluorophenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide
CID 51972629
N-[2-(4-methoxyphenyl)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide
CID 98229429
2-morpholin-4-yl-2-oxo-N-(2-propan-2-yloxyphenyl)acetamide
CID 108984286
N-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]-3-(14-oxo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-3-yl)propanamide
CID 97045959
N-methyl-2-morpholin-4-yl-2-oxoacetamide
CID 22032272
2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
CID 108517102
(4R)-4-phenyl-1-propan-2-yl-3,4-dihydroquinazolin-2-one
CID 124507823
2-[(2R)-1-[13-[(2R)-2-(1,3-dioxoisoindol-2-yl)propanoyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 7073934
2-morpholin-4-yl-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]acetamide
CID 124741961
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-morpholin-4-yl-2-oxoacetamide
CID 2237644
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine-4-carboxamide
CID 40653878

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-2-oxo-N-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]acetamide?
The IUPAC name of 2-morpholin-4-yl-2-oxo-N-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]acetamide (CID 98210292) is 2-morpholin-4-yl-2-oxo-N-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-2-oxo-N-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-2-oxo-N-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]acetamide is CC(C)N1C(=O)[C@@H](NC(=O)C(=O)N2CCOCC2)c2ccccc21.
What is the InChIKey of 2-morpholin-4-yl-2-oxo-N-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]acetamide?
The InChIKey is JGFHMPDKQIXZBN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-11(2)20-13-6-4-3-5-12(13)14(16(20)22)18-15(21)17(23)19-7-9-24-10-8-19/h3-6,11,14H,7-10H2,1-2H3,(H,18,21)/t14-/m0/s1.
What are the key properties of 2-morpholin-4-yl-2-oxo-N-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]acetamide?
2-morpholin-4-yl-2-oxo-N-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]acetamide has a molecular weight of 331.37 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-2-oxo-N-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]acetamide is sourced from PubChem (CID 98210292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).