1-benzoyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-6-carboxamide

C23H27N3O3 — CID 50847714

IUPAC1-benzoyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-6-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccc2c(c1)N(C(=O)c1ccccc1)CC2
InChIInChI=1S/C23H27N3O3/c27-22(24-10-4-11-25-13-15-29-16-14-25)20-8-7-18-9-12-26(21(18)17-20)23(28)19-5-2-1-3-6-19/h1-3,5-8,17H,4,9-16H2,(H,24,27)
InChIKeyFLQGXNJPUXCCHW-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.34
Rot. Bonds6

About 1-benzoyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-6-carboxamide

1-benzoyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-6-carboxamide (PubChem CID 50847714) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-benzoyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-6-carboxamide
PubChem CID50847714
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-benzoyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-6-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccc2c(c1)N(C(=O)c1ccccc1)CC2
InChIInChI=1S/C23H27N3O3/c27-22(24-10-4-11-25-13-15-29-16-14-25)20-8-7-18-9-12-26(21(18)17-20)23(28)19-5-2-1-3-6-19/h1-3,5-8,17H,4,9-16H2,(H,24,27)
InChIKeyFLQGXNJPUXCCHW-UHFFFAOYSA-N
XLogP2.34
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-6-carboxamide
CID 53160375
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
1-(4-fluorobenzoyl)-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-6-carboxamide
CID 53160376
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
1-methylsulfonyl-N-(4-morpholin-4-ylbutyl)-2,3-dihydroindole-5-carboxamide
CID 55742076
(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 110316076
3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide
CID 51082239
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
methyl 3-(3-morpholin-4-ylpropylcarbamoyl)benzoate
CID 108786662
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 109053296
3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 51162231

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-6-carboxamide?
The IUPAC name of 1-benzoyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-6-carboxamide (CID 50847714) is 1-benzoyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-6-carboxamide.
What is the SMILES notation for 1-benzoyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-6-carboxamide?
The canonical SMILES for 1-benzoyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-6-carboxamide is O=C(NCCCN1CCOCC1)c1ccc2c(c1)N(C(=O)c1ccccc1)CC2.
What is the InChIKey of 1-benzoyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-6-carboxamide?
The InChIKey is FLQGXNJPUXCCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-22(24-10-4-11-25-13-15-29-16-14-25)20-8-7-18-9-12-26(21(18)17-20)23(28)19-5-2-1-3-6-19/h1-3,5-8,17H,4,9-16H2,(H,24,27).
What are the key properties of 1-benzoyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-6-carboxamide?
1-benzoyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-6-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 50847714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).