2-methyl-1-[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindol-1-yl]propan-1-one

C23H26N2O3 — CID 53109904

IUPAC2-methyl-1-[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindol-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc21
InChIInChI=1S/C23H26N2O3/c1-16(2)22(26)25-10-9-20-15-19(7-8-21(20)25)17-3-5-18(6-4-17)23(27)24-11-13-28-14-12-24/h3-8,15-16H,9-14H2,1-2H3
InChIKeyIDHXFUVTXBHLQU-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.37
Rot. Bonds3

About 2-methyl-1-[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindol-1-yl]propan-1-one

2-methyl-1-[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindol-1-yl]propan-1-one (PubChem CID 53109904) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-methyl-1-[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindol-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindol-1-yl]propan-1-one
PubChem CID53109904
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name2-methyl-1-[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindol-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc21
InChIInChI=1S/C23H26N2O3/c1-16(2)22(26)25-10-9-20-15-19(7-8-21(20)25)17-3-5-18(6-4-17)23(27)24-11-13-28-14-12-24/h3-8,15-16H,9-14H2,1-2H3
InChIKeyIDHXFUVTXBHLQU-UHFFFAOYSA-N
XLogP3.37
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-[5-[4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 53109902
4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 53109916
ethyl (2R)-2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]propanoate
CID 92882080
ethyl 2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]acetate
CID 46383962
N-(2,5-dimethoxyphenyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 46259620
ethyl 4-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]benzoate
CID 46383956
[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone
CID 46383992
[4-[1-(4-ethylphenyl)sulfonyl-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone
CID 46383999
2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110713868
methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917334

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindol-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindol-1-yl]propan-1-one (CID 53109904) is 2-methyl-1-[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindol-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindol-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindol-1-yl]propan-1-one is CC(C)C(=O)N1CCc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc21.
What is the InChIKey of 2-methyl-1-[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindol-1-yl]propan-1-one?
The InChIKey is IDHXFUVTXBHLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-16(2)22(26)25-10-9-20-15-19(7-8-21(20)25)17-3-5-18(6-4-17)23(27)24-11-13-28-14-12-24/h3-8,15-16H,9-14H2,1-2H3.
What are the key properties of 2-methyl-1-[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindol-1-yl]propan-1-one?
2-methyl-1-[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindol-1-yl]propan-1-one has a molecular weight of 378.47 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindol-1-yl]propan-1-one is sourced from PubChem (CID 53109904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).