3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-morpholin-4-ylethyl)benzamide

C23H27N3O3 — CID 109053349

IUPAC3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCC1Cc2ccccc2N1C(=O)c1cccc(C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C23H27N3O3/c1-17-15-18-5-2-3-8-21(18)26(17)23(28)20-7-4-6-19(16-20)22(27)24-9-10-25-11-13-29-14-12-25/h2-8,16-17H,9-15H2,1H3,(H,24,27)
InChIKeyURQQXMYNXQZOEH-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.34
Rot. Bonds5

About 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-morpholin-4-ylethyl)benzamide

3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 109053349) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID109053349
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCC1Cc2ccccc2N1C(=O)c1cccc(C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C23H27N3O3/c1-17-15-18-5-2-3-8-21(18)26(17)23(28)20-7-4-6-19(16-20)22(27)24-9-10-25-11-13-29-14-12-25/h2-8,16-17H,9-15H2,1H3,(H,24,27)
InChIKeyURQQXMYNXQZOEH-UHFFFAOYSA-N
XLogP2.34
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

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Related Compounds

3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109055314
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 93487728
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 109053296
N-[(2-fluorophenyl)methyl]-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 109054646
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-[(4-methylphenyl)methyl]benzamide
CID 109054414
N-butan-2-yl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 109051597
(2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone
CID 109325288
3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide
CID 51729442
N-(3-acetylphenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 109057702
(2R)-2-methyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-1-carbothioamide
CID 8619555
(2S)-2-methyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-1-carbothioamide
CID 8619558
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-morpholin-4-ylethyl)benzamide (CID 109053349) is 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-morpholin-4-ylethyl)benzamide is CC1Cc2ccccc2N1C(=O)c1cccc(C(=O)NCCN2CCOCC2)c1.
What is the InChIKey of 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is URQQXMYNXQZOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-17-15-18-5-2-3-8-21(18)26(17)23(28)20-7-4-6-19(16-20)22(27)24-9-10-25-11-13-29-14-12-25/h2-8,16-17H,9-15H2,1H3,(H,24,27).
What are the key properties of 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-morpholin-4-ylethyl)benzamide?
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 393.49 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 109053349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).