2-(1-butyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-methyl-N-(oxan-4-yl)acetamide

C21H32N2O3 — CID 42123027

IUPAC2-(1-butyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-methyl-N-(oxan-4-yl)acetamide
SMILESCCCCn1c(C)c(CC(=O)N(C)C2CCOCC2)c2c1CCCC2=O
InChIInChI=1S/C21H32N2O3/c1-4-5-11-23-15(2)17(21-18(23)7-6-8-19(21)24)14-20(25)22(3)16-9-12-26-13-10-16/h16H,4-14H2,1-3H3
InChIKeySEGWIZPILWODIB-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.30
Rot. Bonds6

About 2-(1-butyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-methyl-N-(oxan-4-yl)acetamide

2-(1-butyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-methyl-N-(oxan-4-yl)acetamide (PubChem CID 42123027) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-(1-butyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-methyl-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-butyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-methyl-N-(oxan-4-yl)acetamide
PubChem CID42123027
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name2-(1-butyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-methyl-N-(oxan-4-yl)acetamide
SMILESCCCCn1c(C)c(CC(=O)N(C)C2CCOCC2)c2c1CCCC2=O
InChIInChI=1S/C21H32N2O3/c1-4-5-11-23-15(2)17(21-18(23)7-6-8-19(21)24)14-20(25)22(3)16-9-12-26-13-10-16/h16H,4-14H2,1-3H3
InChIKeySEGWIZPILWODIB-UHFFFAOYSA-N
XLogP3.30
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-methyl-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(1-butyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-methyl-N-(oxan-4-yl)acetamide (CID 42123027) is 2-(1-butyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-methyl-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(1-butyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-methyl-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(1-butyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-methyl-N-(oxan-4-yl)acetamide is CCCCn1c(C)c(CC(=O)N(C)C2CCOCC2)c2c1CCCC2=O.
What is the InChIKey of 2-(1-butyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-methyl-N-(oxan-4-yl)acetamide?
The InChIKey is SEGWIZPILWODIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-4-5-11-23-15(2)17(21-18(23)7-6-8-19(21)24)14-20(25)22(3)16-9-12-26-13-10-16/h16H,4-14H2,1-3H3.
What are the key properties of 2-(1-butyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-methyl-N-(oxan-4-yl)acetamide?
2-(1-butyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-methyl-N-(oxan-4-yl)acetamide has a molecular weight of 360.50 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-methyl-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 42123027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).