[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone

C21H24N2O2 — CID 93487728

IUPAC[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C21H24N2O2/c1-16-13-18-6-2-3-8-20(18)23(16)21(24)19-7-4-5-17(14-19)15-22-9-11-25-12-10-22/h2-8,14,16H,9-13,15H2,1H3/t16-/m1/s1
InChIKeyCLNDLMSAZLEJHM-MRXNPFEDSA-N
MW336.44 g/mol
LogP3.11
Rot. Bonds3

About [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone

[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone (PubChem CID 93487728) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
PubChem CID93487728
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C21H24N2O2/c1-16-13-18-6-2-3-8-20(18)23(16)21(24)19-7-4-5-17(14-19)15-22-9-11-25-12-10-22/h2-8,14,16H,9-13,15H2,1H3/t16-/m1/s1
InChIKeyCLNDLMSAZLEJHM-MRXNPFEDSA-N
XLogP3.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 109053349
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7769267
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 2943863
3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide
CID 51729442
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
[3-[(4-chlorophenoxy)methyl]phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 1002513
(3,5-dimethylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)phenyl]methanone;dihydrochloride
CID 122147940
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109055314
N-butan-2-yl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 109051597
[(2R,4S)-2-methyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 124729193
(1-benzylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 99585246

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone?
The IUPAC name of [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone (CID 93487728) is [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone.
What is the SMILES notation for [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone?
The canonical SMILES for [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone is C[C@@H]1Cc2ccccc2N1C(=O)c1cccc(CN2CCOCC2)c1.
What is the InChIKey of [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone?
The InChIKey is CLNDLMSAZLEJHM-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-16-13-18-6-2-3-8-20(18)23(16)21(24)19-7-4-5-17(14-19)15-22-9-11-25-12-10-22/h2-8,14,16H,9-13,15H2,1H3/t16-/m1/s1.
What are the key properties of [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone?
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone has a molecular weight of 336.44 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone is sourced from PubChem (CID 93487728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).