N-[3-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide

C17H23N3O3 — CID 110355069

IUPACN-[3-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1CCc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C17H23N3O3/c1-13(21)18-6-4-17(22)20-7-5-14-12-15(2-3-16(14)20)19-8-10-23-11-9-19/h2-3,12H,4-11H2,1H3,(H,18,21)
InChIKeyHOCSWBPJTYBECA-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.94
Rot. Bonds4

About N-[3-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide

N-[3-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide (PubChem CID 110355069) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[3-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
PubChem CID110355069
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[3-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1CCc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C17H23N3O3/c1-13(21)18-6-4-17(22)20-7-5-14-12-15(2-3-16(14)20)19-8-10-23-11-9-19/h2-3,12H,4-11H2,1H3,(H,18,21)
InChIKeyHOCSWBPJTYBECA-UHFFFAOYSA-N
XLogP0.94
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 71684022
1-(3-methoxyphenyl)-4-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione
CID 110634574
3-(3-fluorophenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)propan-1-one
CID 110634561
2-(3,4-dimethoxyphenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 110316227
1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-pyridin-3-ylbutan-1-one
CID 110634578
(4-methylphenyl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 110316193
5-morpholin-4-yl-N-phenyl-2,3-dihydroindole-1-carboxamide
CID 110316221
1-(5-piperazin-1-yl-2,3-dihydroindol-1-yl)butan-1-one
CID 28707300
2-methyl-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-phenylpropan-1-one
CID 110355070
1-(4-methoxyphenyl)-4-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione
CID 110634495
N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide
CID 47109240
(3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 110634555

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-[3-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide (CID 110355069) is N-[3-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide is CC(=O)NCCC(=O)N1CCc2cc(N3CCOCC3)ccc21.
What is the InChIKey of N-[3-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide?
The InChIKey is HOCSWBPJTYBECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-13(21)18-6-4-17(22)20-7-5-14-12-15(2-3-16(14)20)19-8-10-23-11-9-19/h2-3,12H,4-11H2,1H3,(H,18,21).
What are the key properties of N-[3-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide?
N-[3-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 110355069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).