[3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-6-yl]-morpholin-4-ylmethanone

C25H30N2O2 — CID 123153419

IUPAC[3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-6-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(C(C)(c2c[nH]c3cc(C(=O)N4CCOCC4)ccc23)C(C)C)cc1
InChIInChI=1S/C25H30N2O2/c1-17(2)25(4,20-8-5-18(3)6-9-20)22-16-26-23-15-19(7-10-21(22)23)24(28)27-11-13-29-14-12-27/h5-10,15-17,26H,11-14H2,1-4H3
InChIKeyFSVPMXIAMNAARM-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.91
Rot. Bonds4

About [3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-6-yl]-morpholin-4-ylmethanone

[3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-6-yl]-morpholin-4-ylmethanone (PubChem CID 123153419) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is [3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-6-yl]-morpholin-4-ylmethanone
PubChem CID123153419
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name[3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-6-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(C(C)(c2c[nH]c3cc(C(=O)N4CCOCC4)ccc23)C(C)C)cc1
InChIInChI=1S/C25H30N2O2/c1-17(2)25(4,20-8-5-18(3)6-9-20)22-16-26-23-15-19(7-10-21(22)23)24(28)27-11-13-29-14-12-27/h5-10,15-17,26H,11-14H2,1-4H3
InChIKeyFSVPMXIAMNAARM-UHFFFAOYSA-N
XLogP4.91
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-6-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

(3-hydroxypyrrolidin-1-yl)-[3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-7-yl]methanone
CID 123821506
ethane;(6-methylnaphthalen-2-yl)-morpholin-4-ylmethanone
CID 143890558
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
4-hydroxy-3-(4-methylphenyl)sulfonyl-7-(morpholine-4-carbonyl)-1H-quinolin-2-one
CID 54710125
[3-[1-(2-fluorophenyl)-2-nitroethyl]-1H-indol-6-yl]-morpholin-4-ylmethanone
CID 67994854
(3-methylsulfinyl-1H-indol-6-yl)-piperazin-1-ylmethanone
CID 141471980
2-chloro-5-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-indole-6-carbonyl]benzenesulfonamide
CID 66850317
2-amino-2-(4-methylphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide;hydrochloride
CID 120667122
(4-bromo-3-methylphenyl)-morpholin-4-ylmethanone
CID 18960596
[4-hydroxy-3-(3-methylbutan-2-yl)phenyl]-morpholin-4-ylmethanone
CID 59382251
2-(4-methylphenoxy)-N-[4-(morpholine-4-carbonyl)phenyl]propanamide
CID 17194734
7-tert-butyl-3-[3-[2-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]phenyl]-1H-quinolin-4-one
CID 44548806

Frequently Asked Questions

What is the IUPAC name of [3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-6-yl]-morpholin-4-ylmethanone (CID 123153419) is [3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-6-yl]-morpholin-4-ylmethanone is Cc1ccc(C(C)(c2c[nH]c3cc(C(=O)N4CCOCC4)ccc23)C(C)C)cc1.
What is the InChIKey of [3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-6-yl]-morpholin-4-ylmethanone?
The InChIKey is FSVPMXIAMNAARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-17(2)25(4,20-8-5-18(3)6-9-20)22-16-26-23-15-19(7-10-21(22)23)24(28)27-11-13-29-14-12-27/h5-10,15-17,26H,11-14H2,1-4H3.
What are the key properties of [3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-6-yl]-morpholin-4-ylmethanone?
[3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-6-yl]-morpholin-4-ylmethanone has a molecular weight of 390.53 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 123153419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).