3-(2-methoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide

C21H26N2O4 — CID 66952846

IUPAC3-(2-methoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
SMILESCOCCOc1cc(C(N)=O)ccc1-n1c(C)cc2c1CC(C)(C)CC2=O
InChIInChI=1S/C21H26N2O4/c1-13-9-15-17(11-21(2,3)12-18(15)24)23(13)16-6-5-14(20(22)25)10-19(16)27-8-7-26-4/h5-6,9-10H,7-8,11-12H2,1-4H3,(H2,22,25)
InChIKeyYTLUKYVJAYGZCW-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.06
Rot. Bonds6

About 3-(2-methoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide

3-(2-methoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide (PubChem CID 66952846) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
PubChem CID66952846
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name3-(2-methoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
SMILESCOCCOc1cc(C(N)=O)ccc1-n1c(C)cc2c1CC(C)(C)CC2=O
InChIInChI=1S/C21H26N2O4/c1-13-9-15-17(11-21(2,3)12-18(15)24)23(13)16-6-5-14(20(22)25)10-19(16)27-8-7-26-4/h5-6,9-10H,7-8,11-12H2,1-4H3,(H2,22,25)
InChIKeyYTLUKYVJAYGZCW-UHFFFAOYSA-N
XLogP3.06
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The IUPAC name of 3-(2-methoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide (CID 66952846) is 3-(2-methoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide.
What is the SMILES notation for 3-(2-methoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The canonical SMILES for 3-(2-methoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide is COCCOc1cc(C(N)=O)ccc1-n1c(C)cc2c1CC(C)(C)CC2=O.
What is the InChIKey of 3-(2-methoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The InChIKey is YTLUKYVJAYGZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-13-9-15-17(11-21(2,3)12-18(15)24)23(13)16-6-5-14(20(22)25)10-19(16)27-8-7-26-4/h5-6,9-10H,7-8,11-12H2,1-4H3,(H2,22,25).
What are the key properties of 3-(2-methoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
3-(2-methoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide has a molecular weight of 370.45 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide is sourced from PubChem (CID 66952846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).