4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-N-(2-morpholin-4-ylethyl)benzamide

C25H31N3O3 — CID 53109916

IUPAC4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCC(C)C(=O)N1CCc2cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)ccc21
InChIInChI=1S/C25H31N3O3/c1-18(2)25(30)28-11-9-22-17-21(7-8-23(22)28)19-3-5-20(6-4-19)24(29)26-10-12-27-13-15-31-16-14-27/h3-8,17-18H,9-16H2,1-2H3,(H,26,29)
InChIKeyDBEJVGFVEBTOBO-UHFFFAOYSA-N
MW421.54 g/mol
LogP2.96
Rot. Bonds6

About 4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-N-(2-morpholin-4-ylethyl)benzamide

4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 53109916) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID53109916
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCC(C)C(=O)N1CCc2cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)ccc21
InChIInChI=1S/C25H31N3O3/c1-18(2)25(30)28-11-9-22-17-21(7-8-23(22)28)19-3-5-20(6-4-19)24(29)26-10-12-27-13-15-31-16-14-27/h3-8,17-18H,9-16H2,1-2H3,(H,26,29)
InChIKeyDBEJVGFVEBTOBO-UHFFFAOYSA-N
XLogP2.96
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide
CID 95086408
N-(2-piperidin-1-ylethyl)-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide
CID 53109848
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
N-(2-methylpropyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 46383985
N-(3-methylbutyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 46383982
N-(2-morpholin-4-ylethyl)-4-propan-2-yloxybenzamide
CID 6471257
N-(2-morpholin-4-ylethyl)-4-[(propan-2-ylamino)methyl]benzamide
CID 89495259
1-(2-methylpropanoyl)-N-propyl-2,3-dihydroindole-6-carboxamide
CID 50847617
N-[5-methyl-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
CID 1451028
4-N-tert-butyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045886
1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-6-carboxamide
CID 53160375
4-(ethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 62166054

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-N-(2-morpholin-4-ylethyl)benzamide (CID 53109916) is 4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-N-(2-morpholin-4-ylethyl)benzamide is CC(C)C(=O)N1CCc2cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)ccc21.
What is the InChIKey of 4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is DBEJVGFVEBTOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-18(2)25(30)28-11-9-22-17-21(7-8-23(22)28)19-3-5-20(6-4-19)24(29)26-10-12-27-13-15-31-16-14-27/h3-8,17-18H,9-16H2,1-2H3,(H,26,29).
What are the key properties of 4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-N-(2-morpholin-4-ylethyl)benzamide?
4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 421.54 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 53109916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).