N-(1-acetyl-2,3-dihydroindol-7-yl)-3-morpholin-4-ylpropanamide

C17H23N3O3 — CID 112537116

IUPACN-(1-acetyl-2,3-dihydroindol-7-yl)-3-morpholin-4-ylpropanamide
SMILESCC(=O)N1CCc2cccc(NC(=O)CCN3CCOCC3)c21
InChIInChI=1S/C17H23N3O3/c1-13(21)20-8-5-14-3-2-4-15(17(14)20)18-16(22)6-7-19-9-11-23-12-10-19/h2-4H,5-12H2,1H3,(H,18,22)
InChIKeyVUBPNNKUSJZUHY-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.26
Rot. Bonds4

About N-(1-acetyl-2,3-dihydroindol-7-yl)-3-morpholin-4-ylpropanamide

N-(1-acetyl-2,3-dihydroindol-7-yl)-3-morpholin-4-ylpropanamide (PubChem CID 112537116) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-7-yl)-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-7-yl)-3-morpholin-4-ylpropanamide
PubChem CID112537116
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(1-acetyl-2,3-dihydroindol-7-yl)-3-morpholin-4-ylpropanamide
SMILESCC(=O)N1CCc2cccc(NC(=O)CCN3CCOCC3)c21
InChIInChI=1S/C17H23N3O3/c1-13(21)20-8-5-14-3-2-4-15(17(14)20)18-16(22)6-7-19-9-11-23-12-10-19/h2-4H,5-12H2,1H3,(H,18,22)
InChIKeyVUBPNNKUSJZUHY-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-7-yl)-3-pyridin-4-ylpropanamide
CID 112537187
N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-methoxyphenyl)propanamide
CID 112537172
N-(1-acetyl-2,3-dihydroindol-7-yl)-2-(2-methylphenyl)acetamide
CID 112537144
N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-ethoxyphenyl)propanamide
CID 112537173
3-morpholin-4-yl-N-[5-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-1-yl]propanamide
CID 10815829
N-(2-methyl-1H-indol-4-yl)-3-morpholin-4-ylpropanamide
CID 138457611
N-(1-acetyl-2,3-dihydroindol-7-yl)-2-(3-methoxyphenyl)acetamide
CID 112537141
N-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 55151809
N-(1-acetyl-2,3-dihydroindol-7-yl)-4-bromobenzamide
CID 112537123
1-(1-acetyl-2,3-dihydroindol-7-yl)-3-(2,4-difluorophenyl)urea
CID 3415037
N-(2-ethylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016771

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-7-yl)-3-morpholin-4-ylpropanamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-7-yl)-3-morpholin-4-ylpropanamide (CID 112537116) is N-(1-acetyl-2,3-dihydroindol-7-yl)-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-7-yl)-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-7-yl)-3-morpholin-4-ylpropanamide is CC(=O)N1CCc2cccc(NC(=O)CCN3CCOCC3)c21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-7-yl)-3-morpholin-4-ylpropanamide?
The InChIKey is VUBPNNKUSJZUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-13(21)20-8-5-14-3-2-4-15(17(14)20)18-16(22)6-7-19-9-11-23-12-10-19/h2-4H,5-12H2,1H3,(H,18,22).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-7-yl)-3-morpholin-4-ylpropanamide?
N-(1-acetyl-2,3-dihydroindol-7-yl)-3-morpholin-4-ylpropanamide has a molecular weight of 317.39 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-7-yl)-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 112537116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).